DRUGBANK

GENERIC Molecule_CScaffold (HighlighPattern Target Source Prediction (Prediction (activity) (Confiden

DB15327 Abivertinib C=CC(=O)Nc1cccc(Oc2nc(Nc

[#6](-,:[#6]:P00533 DrugBank 1 0.99

DB11798 TanzisertibOC1CCC(Nc2ncc3nc(Nc4c(F[#6](-,:[#6]:P00533 DrugBank 1 0.88

DB11982 GDC-0623O=C(NOCCO)c1ccc2cncn2c1
[#6](-,:[#6]:P00533 DrugBank 1 0.88

DB08339 PD-166326Cn1c(=O)c(-c2c(Cl)cccc2Cl [#6](-,:[#6]:P00533 DrugBank 1 0.81

DB12318 BMS-5996Cc1c(NC(=O)OCC2COCCN2)c
[#6](-,:[#6]:P00533 DrugBank 1 0.81

DB07203 6-CYCLOHClc1cccc(Nc2nc(OCC3CCCC
[#6](-,:[#6]:P00533 DrugBank 1 0.8

DB11740 MK-1775 C=CCn1c(=O)c2cnc(Nc3ccc([#6](-,:[#6]:P00533 DrugBank 1 0.79

DB11867 JNJ-39393CN(C)C(=O)CCn1nc(Nc2ccc3
[#6](-,:[#6]:P00533 DrugBank 1 0.79

DB16173 GanaplacidCC1(C)c2nc(-c3ccc(F)cc3) [#6](-,:[#6]:P00533 DrugBank 1 0.79

DB07606 6-(3,4-DI CCc1nn(-c2c(Cl)cc(Cl)cc2Cl[#6](-,:[#6]:P00533 DrugBank 1 0.78

DB11745 Otenabant CCNC1(C(N)=O)CCN(c2ncnc3

[#6](-,:[#6]:P00533 DrugBank 1 0.77

DB08096 8-(2-CHLOCCn1c(Nc2ccccc2Cl)nc2cnc([#6](-,:[#6]:P00533 DrugBank 1 0.76

DB16216 Lazertinib C=CC(=O)Nc1cc(Nc2nccc(-n[#6](-,:[#6]:P00533 DrugBank 1 0.76

DB04591 N-{2,2-DI FC(F)(CNc1nccc2oc(Cc3cc [#6](-,:[#6]:P00533 DrugBank 1 0.74

DB04669 TRIAZOLOBrc1cccc(-c2cc(NCc3ccncc3)[#6](-,:[#6]:P00533 DrugBank 1 0.73

DB07128 N7-BUTYL-CCCCNc1cc(C)nc2nc(Nc3cc(
[#6](-,:[#6]:P00533 DrugBank 1 0.73

DB07648 (2R)-3-{[ OCC(O)CNc1ncnc2[nH]c(-c3c

[#6](-,:[#6]:P00533 DrugBank 1 0.72

DB07647 (2R)-1-[( CC(O)CNc1ncnc2[nH]c(-c3cc[#6](-,:[#6]:P00533 DrugBank 1 0.71

DB07655 3-AMINO-3OCCNc1ncnc2[nH]c(-c3ccccc
[#6](-,:[#6]:P00533 DrugBank 1 0.71

DB12696 BMS-5829CCCNC(=O)c1cn2ncnc(Nc3c[#6](-,:[#6]:P00533 DrugBank 1 0.69

DB02567 PD173955CSc1cccc(Nc2ncc3cc(-c4c(C[#6](-,:[#6]:P00533 DrugBank 1 0.68

DB06948 2-ANILIN c1ccc(Nc2nc(OCC3CCCCC3)

[#6](-,:[#6]:P00533 DrugBank 1 0.65

DB08360 2-(4-ETHYCCN1CCN(c2nc(Nc3ccccc3)[#6](-,:[#6]:P00533 DrugBank 1 0.65

DB02495 9-(4-hydro O=c1[nH]c(Nc2ccccc2)nc2 [#6](-,:[#6]:P00533 DrugBank 1 0.64

DB06940 N-ethyl-4-{CCNC(=O)c1cn2ncnc(Nc3cc[#6](-,:[#6]:P00533 DrugBank 1 0.64

DB08309 3-({2-[(4 O=S(=O)(CCNCCCO)c1ccc([#6](-,:[#6]:P00533 DrugBank 1 0.64

DB04607 PHENYLAM
NS(=O)(=O)c1ccc(Nc2cn3cc([#6](-,:[#6]:P00533 DrugBank 1 0.63
DB07340 Reversine c1nc2c(NC3CCCCC3)nc(Nc3
[#6](-,:[#6]:P00533 DrugBank 1 0.63

DB08097 2-(2,6-DI CC(C)n1c(Nc2ccccc2F)nc2c[#6](-,:[#6]:P00533 DrugBank 1 0.63

DB11665 BMS-6905COc1cccc(Nc2ncnn3ccc(CN[#6](-,:[#6]:P00533 DrugBank 1 0.59

DB12140 Dilmapimo Cc1cc(F)ccc1-c1nc(NC(CO) [#6](-,:[#6]:P00533 DrugBank 1 0.58

DB12904 ZSTK-474 FC(F)c1nc2ccccc2n1-c1nc [#6](-,:[#6]:P00533 DrugBank 1 0.57

DB08233 6-CYCLOHOc1ccc(Nc2nc(OCC3CCCCC3
[#6](-,:[#6]:P00533 DrugBank 1 0.52

DB15227 TirabrutinibCC#CC(=O)N1CCC(n2c(=O)n(
[#6](-,:[#6]:P00533 DrugBank 1 0.52

DB07248 7-PYRIDINCOc1cc(Nc2ncc3ccn(-c4ccc[#6](-,:[#6]:P00533 DrugBank 1 0.51

DB08354 2-(4-CHLON#Cc1cnn2c(Nc3ccccc3)nc([#6](-,:[#6]:P00533 DrugBank 1 0.48

DB15468 IscotrizinolCCCCC(CC)COC(=O)c1ccc(N
[#6](-,:[#6]:P00533 DrugBank 1 0.46

DB08345 4-(2-(1H- N#Cc1cnn2c(NCCc3cnc[nH]3

[#6](-,:[#6]:P00533 DrugBank 1 0.45

DB02164 N-sulfo-fla Cc1cc2c(cc1C)[n+](S(=O)( [#6](-,:[#6]:P00533 DrugBank 1 0.44

DB03853 Reactive RO=S(=O)(O)c1ccc(O)c(N=Nc[#6](-,:[#6]:P00533 DrugBank 1 0.43

DB08353 2-(CYCLOH
N#Cc1cnn2c(Nc3ccccc3)nc [#6](-,:[#6]:P00533 DrugBank 1 0.43

DB14989 Umbralisib CC(C)Oc1ccc(-c2nn(C(C)c3o[#6](-,:[#6]:P00533 DrugBank 1 0.42

DB03913 Coenzyme CC(OP(=O)(O)OCC(O)C(O)C

[#6](-,:[#6]:P00533 DrugBank 1 0.4

DB12411 BemcentiniNc1nc(Nc2ccc3c(c2)CCC(N [#6](-,:[#6]:P00533 DrugBank 1 0.4

DB08338 19-(cyclop O=C1CCCCc2cnn3c(NC4CC4)

[#6](-,:[#6]:P00533 DrugBank 1 0.39
DB15469 Octyl triaz CCCCC(CC)COC(=O)c1ccc(N
[#6](-,:[#6]:P00533 DrugBank 1 0.39

DB03474 Reactive RNc1nc(N)nc(Nc2cc(S(=O)(= [#6](-,:[#6]:P00533 DrugBank 1 0.38

DB08340 N,N'-DIPH c1ccc(Nc2nc(Nc3ccccc3)n3n[#6](-,:[#6]:P00533 DrugBank 1 0.38

DB08052 PP-121 Nc1ncnc2c1c(-c1cnc3[nH]c [#6](-,:[#6]:P00533 DrugBank 1 0.36

DB02633 Cibacron BNc1c(S(=O)(=O)O)cc(Nc2cc[#6](-,:[#6]:P00533 DrugBank 1 0.35

DB07126 O6-CYCLONS(=O)(=O)c1ccc(Nc2nc(O [#6](-,:[#6]:P00533 DrugBank 1 0.35

DB08248 3-(6-CYC NS(=O)(=O)c1cccc(Nc2nc( [#6](-,:[#6]:P00533 DrugBank 1 0.35

DB14727 Riboflavin CCCC(=O)OCC(OC(=O)CCC)C

[#6](-,:[#6]:P00533 DrugBank 1 0.35

DB03247 Flavin monCc1cc2nc3c(=O)[nH]c(=O)n [#6](-,:[#6]:P00533 DrugBank 1 0.34

DB08241 4-(6-CYC NC(=O)c1ccc(Nc2nc(OCC3C[#6](-,:[#6]:P00533 DrugBank 1 0.34

DB08300 1-methyl-3-Cn1nc(-c2ccc3ccccc3c2)c2c[#6](-,:[#6]:P00533 DrugBank 1 0.34

DB08362 N-(3-(8-C CC(=O)Nc1cccc(Nc2nc(Nc3c[#6](-,:[#6]:P00533 DrugBank 1 0.34

DB06898 4-(2-amino-Cn1c(N)nc2ncc(-c3ccc(O)cc[#6](-,:[#6]:P00533 DrugBank 1 0.33

DB08398 2-Amino-1-Cn1c(N)nc2ncc(-c3ccccc3)c [#6](-,:[#6]:P00533 DrugBank 1 0.33

DB08694 Variolin B Nc1nccc(-c2c3c(O)ccnc3n3c[#6](-,:[#6]:P00533 DrugBank 1 0.33

DB12729 ASP-3026 COc1cc(N2CCC(N3CCN(C)CC

[#6](-,:[#6]:P00533 DrugBank 1 0.33

DB04345 LumichromCc1cc2nc3[nH]c(=O)[nH]c(=[#6](-,:[#6]:P00533 DrugBank 1 0.32

DB08053 1-cyclobutyCOc1ccc(-c2nn(C3CCC3)c3[#6](-,:[#6]:P00533 DrugBank 1 0.3

DB11452 Ponazuril Cc1cc(-n2c(=O)[nH]c(=O)n( [#6](-,:[#6]:P00533 DrugBank 1 0.28

DB11836 SapanisertCC(C)n1nc(-c2ccc3oc(N)nc3[#6](-,:[#6]:P00533 DrugBank 1 0.28

DB07251 N'-(3-CHL COc1ccc(Nc2ncnc(Nc3cc(OC

[#6](-,:[#6]:P00533 DrugBank 1 0.26

DB07335 3-[4-AMIN CC(C)n1nc(-c2cccc(O)c2)c2[#6](-,:[#6]:P00533 DrugBank 1 0.26

DB08054 1-(1-methylCC(C)n1nc(-c2ccc3ncccc3c2[#6](-,:[#6]:P00533 DrugBank 1 0.26

DB07337 4-[4-AMIN N#Cc1ccc(Nc2nc(N)nc(Cc3c([#6](-,:[#6]:P00533 DrugBank 1 0.24

DB04726 Lumiflavin Cc1cc2nc3c(=O)[nH]c(=O)nc[#6](-,:[#6]:P00533 DrugBank 1 0.23

DB01809 1-Ter-ButylCc1ccc(-c2nn(C(C)(C)C)c3n[#6](-,:[#6]:P00533 DrugBank 1 0.22

DB04463 3-(4-Amino-CC(C)(C)n1nc(-c2cccc(O)c2[#6](-,:[#6]:P00533 DrugBank 1 0.22

DB00140 Riboflavin Cc1cc2nc3c(=O)[nH]c(=O)n [#6](-,:[#6]:P00533 DrugBank 1 0.21

DB16279 PecavaptaCC(O)c1nc(Cn2nc(-c3ccc(Cl[#6](-,:[#6]:P00533 DrugBank 1 0.21

DB07343 4-[4-AMIN N#Cc1ccc(Nc2nc(N)nc(Oc3c(

[#6](-,:[#6]:P00533 DrugBank 1 0.18

DB01609 Deferasiro O=C(O)c1ccc(-n2nc(-c3cccc[#6](-,:[#6]:P00533 DrugBank 1 0.16

DB07852 1-(3,5-DI Cc1nc(C(=O)O)nn1-c1cc(Cl)c

[#6](-,:[#6]:P00533 DrugBank 1 0.11

DB12983 Phthalocyac1ccc2c(c1)-c1nc-2nc2[nH]c[#6](-,:[#6]:P00533 DrugBank 1 0.11

DB07664 K-00546 Nc1nc(Nc2ccc(S(N)(=O)=O)[#6](-,:[#6]:P00533 DrugBank 1 0.08

DB08535 3-bromo-5-p
Brc1cnn2c(NCc3cccnc3)cc(-[#6](-,:[#7] P00533 DrugBank 1 0.92

DB12001 AbemacicliCCN1CCN(Cc2ccc(Nc3ncc(F)
[#6](-,:[#7] P00533 DrugBank 1 0.92
DB16068 BTRX-335 CCc1cc(F)c2nc(N3CCC(NC4[#6](-,:[#7] P00533 DrugBank 1 0.92

DB08532 6-(2-fluoro Fc1ccccc1-c1cn2ccnc2c(NC[#6](-,:[#7] P00533 DrugBank 1 0.9

DB12978 Pexidartini FC(F)(F)c1ccc(CNc2ccc(Cc3[#6](-,:[#7] P00533 DrugBank 1 0.87

DB07179 3-((3-bromoCc1ccccc1-c1cc(NCc2ccc[n+]
[#6](-,:[#7] P00533 DrugBank 1 0.85

DB15310 VactosertibCc1cccc(-c2[nH]c(CNc3cccc[#6](-,:[#7] P00533 DrugBank 1 0.84

DB06852 CHIR-124 O=c1[nH]c2ccc(Cl)cc2c(NC [#6](-,:[#7] P00533 DrugBank 1 0.82

DB16098 Atogepant CC1C(c2c(F)ccc(F)c2F)CC( [#6](-,:[#7] P00533 DrugBank 1 0.81

DB12542 GSK-3562 CCn1ncc2c(NC3CCOCC3)c(-

[#6](-,:[#7] P00533 DrugBank 1 0.77

DB06909 1-ethyl-N-(CCn1ncc2c(NC3CCOCC3)c(C
[#6](-,:[#7] P00533 DrugBank 1 0.74
DB06983 (5-phenyl-7OCc1cnn2c(NCc3cccnc3)cc([#6](-,:[#7] P00533 DrugBank 1 0.74

DB12021 Dinaciclib CCc1cnn2c(NCc3ccc[n+]([O[#6](-,:[#7] P00533 DrugBank 1 0.74

DB06896 1-(4-fluoro O=C(Nc1ccc(Oc2ccnc3[nH]cc

[#6](-,:[#7] P00533 DrugBank 1 0.73

DB08539 3-cyclopropc1ccc(-c2cc(NCc3cccnc3)n3[#6](-,:[#7] P00533 DrugBank 1 0.7

DB05928 Dovitinib CN1CCN(c2ccc3nc(-c4c(N)c[#6](-,:[#7] P00533 DrugBank 1 0.69

DB15328 UbrogepanCC1C(c2ccccc2)CC(NC(=O)c
[#6](-,:[#7] P00533 DrugBank 1 0.69

DB08445 (3R,4S)-1 COc1ccc(-c2cc(N3CC(N)C(c4

[#6](-,:[#7] P00533 DrugBank 1 0.67

DB13029 MK-0873 O=C(NC1CC1)c1cn(-c2cccc(C

[#6](-,:[#7] P00533 DrugBank 1 0.67

DB05575 Motesanib CC1(C)CNc2cc(NC(=O)c3cc[#6](-,:[#7] P00533 DrugBank 1 0.66

DB12064 BMS-7776CCOc1ccn(-c2ccc(F)cc2)c(=[#6](-,:[#7] P00533 DrugBank 1 0.66

DB07405 1-(6-CYANN#Cc1ccc(C(=O)N2CCC3(CC
[#6](-,:[#7] P00533 DrugBank 1 0.64

DB11995 AvatromboO=C(Nc1nc(-c2cc(Cl)cs2) [#6](-,:[#7] P00533 DrugBank 1 0.63

DB06302 Glesatinib COCCNCc1ccc(-c2cc3nccc(O

[#6](-,:[#7] P00533 DrugBank 1 0.62

DB06876 N-{5-[4-( CN1CCN(c2ccc(-c3cnc4[nH][#6](-,:[#7] P00533 DrugBank 1 0.62

DB07040 2-amino-7-NC(=O)c1cc2c(=O)c3cc(F)c [#6](-,:[#7] P00533 DrugBank 1 0.62

DB12570 CC-223 COC1CCC(N2C(=O)CNc3ncc(

[#6](-,:[#7] P00533 DrugBank 1 0.62

DB14896 Selitrectini CC1CCc2ncc(F)cc2C2CCCN2

[#6](-,:[#7] P00533 DrugBank 1 0.6

DB15102 Pemigatini CCN1C(=O)N(c2c(F)c(OC)c [#6](-,:[#7] P00533 DrugBank 1 0.6

DB16230 NSI-189 CC(C)CCNc1ncccc1C(=O)N[#6](-,:[#7] P00533 DrugBank 1 0.6

DB12561 WNT-974 Cc1cc(-c2ncc(CC(=O)Nc3ccc

[#6](-,:[#7] P00533 DrugBank 1 0.59

DB07183 N-(4-phenox
O=C(Nc1ccc(Oc2ccccc2)cc1[#6](-,:[#7] P00533 DrugBank 1 0.58

DB15822 Pralsetinib COC1(C(=O)NC(C)c2ccc(-n3[#6](-,:[#7] P00533 DrugBank 1 0.58

DB07474 3-[5-(1H- Cc1cc(-n2ccnc2)cc2[nH]c(- [#6](-,:[#7] P00533 DrugBank 1 0.56

DB12186 SRT-2104 Cc1nc(-c2cccnc2)sc1C(=O) [#6](-,:[#7] P00533 DrugBank 1 0.56

DB11632 OpicaponeCc1c(Cl)c(C)[n+]([O-])c(Cl)c [#6](-,:[#7] P00533 DrugBank 1 0.55

DB12457 RimegepanNC1c2cccnc2C(OC(=O)N2CC
[#6](-,:[#7] P00533 DrugBank 1 0.55

DB01658 1'-Deazo-TCc1ccc(C[n+]2csc(CCOP(=O[#6](-,:[#7] P00533 DrugBank 1 0.54

DB03062 (1-Methyl-1Cc1c(C(=O)c2nccn2C)oc2c [#6](-,:[#7] P00533 DrugBank 1 0.54

DB13013 LFF-571 CNC(=O)CC1NC(=O)c2csc(n2

[#6](-,:[#7] P00533 DrugBank 1 0.54

DB00238 NevirapineCc1ccnc2c1NC(=O)c1cccn [#6](-,:[#7] P00533 DrugBank 1 0.52

DB08278 1-(2-cyclopO=c1c(C2=NS(=O)(=O)c3cc[#6](-,:[#7] P00533 DrugBank 1 0.52

DB12740 CC-115 CCN1C(=O)CNc2ncc(-c3ccc([#6](-,:[#7] P00533 DrugBank 1 0.51

DB15036 SitravatinibCOCCNCc1ccc(-c2cc3nccc(O
[#6](-,:[#7] P00533 DrugBank 1 0.51

DB16262 Olacaftor CC(C)COc1cc(F)cc(-c2ccc( [#6](-,:[#7] P00533 DrugBank 1 0.51

DB12657 JNJ-42396COCCc1ccc(-c2c(C)nc3c(N [#6](-,:[#7] P00533 DrugBank 1 0.5

DB13035 AG-24322 CCNCc1cncc(-c2ccc3[nH]nc([#6](-,:[#7] P00533 DrugBank 1 0.5

DB14875 AZD-4017 CCCSc1nc(N2CCCC(CC(=O[#6](-,:[#7] P00533 DrugBank 1 0.5

DB06061 AZD-8330 Cc1cc(C(=O)NOCCO)c(Nc2cc

[#6](-,:[#7] P00533 DrugBank 1 0.49

DB12597 Asciminib O=C(Nc1ccc(OC(F)(F)Cl)cc1[#6](-,:[#7] P00533 DrugBank 1 0.49

DB15425 CYC-065 CCC(Nc1nc(NCc2cnc(C)cc2C

[#6](-,:[#7] P00533 DrugBank 1 0.48

DB15444 ElexacaftorCc1nn(C)cc1S(=O)(=O)NC(=[#6](-,:[#7] P00533 DrugBank 1 0.47

DB11987 GSK-2018 CC(C)Oc1ncc(-c2nc(-c3ccc [#6](-,:[#7] P00533 DrugBank 1 0.46

DB11902 GisadenafilCCOc1ncc(S(=O)(=O)N2CCN
[#6](-,:[#7] P00533 DrugBank 1 0.45

DB14846 Bimiralisib Nc1cc(C(F)(F)F)c(-c2nc( [#6](-,:[#7] P00533 DrugBank 1 0.45

DB15177 VX-659 CC1CN(c2nc(-n3ccc(OCCC4(

[#6](-,:[#7] P00533 DrugBank 1 0.45
DB16580 AfimetoranCc1c(-c2[nH]c3ccc(C4CCN( [#6](-,:[#7] P00533 DrugBank 1 0.45

DB02814 3'-Deazo-TCc1cc(N)c(C[n+]2csc(CCOP[#6](-,:[#7] P00533 DrugBank 1 0.44

DB07275 3-(1,1-dioxCC(C)CCn1c(=O)c(C2=NS(=O
[#6](-,:[#7] P00533 DrugBank 1 0.44

DB16186 PEN-866 CCc1c2c(nc3ccc(OC(=O)N4C

[#6](-,:[#7] P00533 DrugBank 1 0.44

DB04614 (R)-tacrine O=c1ccc2c([nH]1)CCCC2N [#6](-,:[#7] P00533 DrugBank 1 0.43

DB04615 (S)-tacrine O=c1ccc2c([nH]1)CCCC2N [#6](-,:[#7] P00533 DrugBank 1 0.43

DB15685 SelpercatinCOc1ccc(CN2C3CC2CN(c2ccc
[#6](-,:[#7] P00533 DrugBank 1 0.43

DB05470 VX-702 NC(=O)c1ccc(N(C(N)=O)c2c([#6](-,:[#7] P00533 DrugBank 1 0.42

DB11708 Peficitinib NC(=O)c1cnc2[nH]ccc2c1 [#6](-,:[#7] P00533 DrugBank 1 0.41

DB12185 Exatecan CCC1(O)C(=O)OCc2c1cc1n([#6](-,:[#7] P00533 DrugBank 1 0.41

DB12400 Voxtalisib CCn1c(=O)c(-c2ccn[nH]2)cc[#6](-,:[#7] P00533 DrugBank 1 0.38

DB14765 RivoceraniN#CC1(c2ccc(NC(=O)c3ccc [#6](-,:[#7] P00533 DrugBank 1 0.38

DB00976 TelithromycCCC1OC(=O)C(C)C(=O)C(C)
[#6](-,:[#7] P00533 DrugBank 1 0.37

DB06638 Quarfloxin CN1CCCC1CCNC(=O)c1cn2c3

[#6](-,:[#7] P00533 DrugBank 1 0.36

DB07042 7-amino-2-tCC(C)(C)c1nc(NCCc2c[nH]c[#6](-,:[#7] P00533 DrugBank 1 0.36

DB11438 NitenpyramCCN(Cc1ccc(Cl)nc1)C(=C[N+
[#6](-,:[#7] P00533 DrugBank 1 0.36

DB11904 Flumatinib Cc1ncc(NC(=O)c2ccc(CN3CC

[#6](-,:[#7] P00533 DrugBank 1 0.36

DB07043 7-amino-2-tCC(C)(C)c1nc(N2CCN(c3ncc[#6](-,:[#7] P00533 DrugBank 1 0.35

DB01342 ForasartanCCCCc1nc(CCCC)n(Cc2ccc(-
[#6](-,:[#7] P00533 DrugBank 1 0.34

DB02104 2,4-Diamino
COc1cc(N(C)Cc2cnc3nc(N)n[#6](-,:[#7] P00533 DrugBank 1 0.34

DB03227 Nicotinami NC(=O)c1ccc[n+](C2OC(CO[#6](-,:[#7] P00533 DrugBank 1 0.34

DB08665 6,11-DIHY CCN1c2cc([N+](=O)[O-])ccc [#6](-,:[#7] P00533 DrugBank 1 0.34

DB15054 TAS-117 CC1(O)CC(N)(c2ccc(-c3nc4n[#6](-,:[#7] P00533 DrugBank 1 0.34

DB15440 GSK-3117 O=C(CCc1ccc(CNC(C(=O) [#6](-,:[#7] P00533 DrugBank 1 0.34

DB12515 9-aminocam
CCC1(O)C(=O)OCc2c1cc1n([#6](-,:[#7] P00533 DrugBank 1 0.33

DB14805 PiflufolastaO=C(O)CCC(NC(=O)NC(CCCC
[#6](-,:[#7] P00533 DrugBank 1 0.33

DB14985 EnarodustaO=C(O)CNC(=O)c1c(O)cc(C[#6](-,:[#7] P00533 DrugBank 1 0.33

DB15657 Ala-geninthC=C1NC(=O)c2nc(oc2C)C(=C
[#6](-,:[#7] P00533 DrugBank 1 0.33

DB05444 Iroxanadin c1cncc(C2=NC(CN3CCCCC3

[#6](-,:[#7] P00533 DrugBank 1 0.32

DB15435 BMS-9861Cc1nnn(C)c1-c1cnc2c3ccc( [#6](-,:[#7] P00533 DrugBank 1 0.32

DB16138 DiflomotecCCC1(O)CC(=O)OCc2c1cc1n(
[#6](-,:[#7] P00533 DrugBank 1 0.32

DB03351 Sri-9439 Cc1c(CNc2cccc3ncccc23)cn[#6](-,:[#7] P00533 DrugBank 1 0.31

DB04761 PYRIMIDINO=C(NCc1cccnc1)c1cc(C(= [#6](-,:[#7] P00533 DrugBank 1 0.31

DB05520 Mimopezil CC=C1C2C=C(C)CC1(N=Cc1c

[#6](-,:[#7] P00533 DrugBank 1 0.31

DB05596 PRX-03140CC(C)n1c(=O)c(C(=O)NCCC[#6](-,:[#7] P00533 DrugBank 1 0.31

DB06454 Sarizotan Fc1ccc(-c2cncc(CNCC3CCc4

[#6](-,:[#7] P00533 DrugBank 1 0.31
DB12887 TazemetostCCN(c1cc(-c2ccc(CN3CCOC[#6](-,:[#7] P00533 DrugBank 1 0.31

DB14799 PF-068214COc1cc(C)[nH]c(=O)c1CN1 [#6](-,:[#7] P00533 DrugBank 1 0.31

DB00430 CefpiramidCc1cc(O)c(C(=O)NC(C(=O) [#6](-,:[#7] P00533 DrugBank 1 0.3

DB11421 ImidaclopriO=[N+]([O-])N=C1NCCN1Cc1
[#6](-,:[#7] P00533 DrugBank 1 0.3

DB12659 SJ-733 N#Cc1cc(NC(=O)C2c3ccccc3

[#6](-,:[#7] P00533 DrugBank 1 0.3

DB02975 GE-2270A CNC(=O)CC1NC(=O)c2csc(n2

[#6](-,:[#7] P00533 DrugBank 1 0.29

DB06159 Rubitecan CCC1(O)C(=O)OCc2c1cc1n(c

[#6](-,:[#7] P00533 DrugBank 1 0.29

DB12270 LosmapimoCc1c(F)cc(C(=O)NC2CC2)cc[#6](-,:[#7] P00533 DrugBank 1 0.29

DB16135 DesidustatO=C(O)CNC(=O)c1c(O)c2c [#6](-,:[#7] P00533 DrugBank 1 0.29

DB16629 Serdexmeth
COC(=O)C(c1ccccc1)C1CCC
[#6](-,:[#7] P00533 DrugBank 1 0.29

DB08418 (4aS,4bR,10
CC12CCC3c4ccc(OS(N)(=O[#6](-,:[#7] P00533 DrugBank 1 0.28

DB11990 MK-0812 COC1COCCC1NC1CCC(CN2CC

[#6](-,:[#7] P00533 DrugBank 1 0.28

DB00762 Irinotecan CCc1c2c(nc3ccc(OC(=O)N4[#6](-,:[#7] P00533 DrugBank 1 0.27

DB12124 NamitecanCCC1(O)C(=O)OCc2c1cc1n[#6](-,:[#7] P00533 DrugBank 1 0.27

DB13687 NiaprazineCC(CCN1CCN(c2ccc(F)cc2)[#6](-,:[#7] P00533 DrugBank 1 0.27

DB16272 OrelabrutinC=CC(=O)N1CCC(c2ccc(C(N)
[#6](-,:[#7] P00533 DrugBank 1 0.27

DB06721 GimatecanCCC1(O)C(=O)OCc2c1cc1n([#6](-,:[#7] P00533 DrugBank 1 0.26

DB08820 Ivacaftor CC(C)(C)c1cc(C(C)(C)C)c( [#6](-,:[#7] P00533 DrugBank 1 0.26

DB11614 Rupatadin Cc1cncc(CN2CCC(=C3c4ccc[#6](-,:[#7] P00533 DrugBank 1 0.26

DB11799 BictegravirO=C(NCc1c(F)cc(F)cc1F)c [#6](-,:[#7] P00533 DrugBank 1 0.26

DB15141 Deutivacaft[2H]C([2H])([2H])C(c1cc(C(C[#6](-,:[#7] P00533 DrugBank 1 0.26

DB02071 WAY-1516COc1ccc(S(=O)(=O)N(Cc2cc[#6](-,:[#7] P00533 DrugBank 1 0.25

DB06685 Laquinimo CCN(C(=O)c1c(O)c2c(Cl)ccc[#6](-,:[#7] P00533 DrugBank 1 0.25

DB08930 DolutegraviCC1CCOC2Cn3cc(C(=O)NCc4
[#6](-,:[#7] P00533 DrugBank 1 0.25

DB11934 Epelsiban CCC(C)C1C(=O)NC(C2Cc3c[#6](-,:[#7] P00533 DrugBank 1 0.24

DB12702 VelusetragCC(C)n1c(=O)c(C(=O)NC2C[#6](-,:[#7] P00533 DrugBank 1 0.24

DB04690 CamptotheCCC1(O)C(=O)OCc2c1cc1n([#6](-,:[#7] P00533 DrugBank 1 0.23

DB05482 7-ethyl-10 CCc1c2c(nc3ccc(O)cc13)-c [#6](-,:[#7] P00533 DrugBank 1 0.23

DB11751 CabotegravCC1COC2Cn3cc(C(=O)NCc4c
[#6](-,:[#7] P00533 DrugBank 1 0.23

DB12222 LurtotecanCCC1(O)C(=O)OCc2c1cc1n[#6](-,:[#7] P00533 DrugBank 1 0.23

DB12402 PumosetraO=C(NC1CN2CCC1CC2)c1c[
[#6](-,:[#7] P00533 DrugBank 1 0.23

DB12929 JNJ-39220O=C(c1ccc(Oc2ccc(F)cc2) [#6](-,:[#7] P00533 DrugBank 1 0.23

DB12385 10-hydroxyCCC1(O)C(=O)OCc2c1cc1n([#6](-,:[#7] P00533 DrugBank 1 0.22

DB04724 (S)-2-((S)- CNC(=O)C(Cc1ccc2ccccc2c[#6](-,:[#7] P00533 DrugBank 1 0.21

DB07556 CGS-2702COc1ccc(S(=O)(=O)N(Cc2cc[#6](-,:[#7] P00533 DrugBank 1 0.21

DB12381 Merestinib Cc1ccc(C(=O)Nc2ccc(Oc3cc4

[#6](-,:[#7] P00533 DrugBank 1 0.21
DB00224 Indinavir CC(C)(C)NC(=O)C1CN(Cc2 [#6](-,:[#7] P00533 DrugBank 1 0.2

DB01030 TopotecanCCC1(O)C(=O)OCc2c1cc1n([#6](-,:[#7] P00533 DrugBank 1 0.2

DB03878 N-[4-MethylCc1ccc(NC(=O)c2cccnc2)cc1
[#6](-,:[#7] P00533 DrugBank 1 0.2

DB07430 (10R)-10-me
Cc1ccc(-c2ccc3c(ccc4sc5c [#6](-,:[#7] P00533 DrugBank 1 0.2

DB12048 Savolitinib CC(c1ccc2nccn2c1)n1nnc2nc

[#6](-,:[#7] P00533 DrugBank 1 0.2

DB16321 S-777469 CCc1c(C)cc(C(=O)NC2(C(= [#6](-,:[#7] P00533 DrugBank 1 0.2

DB03348 Huperzine CC1=CC2Cc3[nH]c(=O)ccc [#6](-,:[#7] P00533 DrugBank 1 0.19

DB08620 ThiaclopridN#CN=C1SCCN1Cc1ccc(Cl)[#6](-,:[#7] P00533 DrugBank 1 0.19

DB12837 UK-500001Cc1ccc(O)c(C(=O)NC2CCC(N
[#6](-,:[#7] P00533 DrugBank 1 0.19
DB14581 CPI-1205 COc1cc(C)[nH]c(=O)c1CNC([#6](-,:[#7] P00533 DrugBank 1 0.19

DB14933 NicotinamidNC(=O)c1ccc[n+](C2OC(CO[#6](-,:[#7] P00533 DrugBank 1 0.19

DB07025 3-(5-{[4- NCC1CCN(Cc2ccc3[nH]c(-c4[#6](-,:[#7] P00533 DrugBank 1 0.18

DB08791 1-[(2-NIT NC(=O)c1cnc2ccn(S(=O)(=O)

[#6](-,:[#7] P00533 DrugBank 1 0.18

DB12459 Belotecan CCC1(O)C(=O)OCc2c1cc1n([#6](-,:[#7] P00533 DrugBank 1 0.18

DB12858 LY-377604CC(C)(Cc1ccc(Oc2ccc(C(N)[#6](-,:[#7] P00533 DrugBank 1 0.18

DB13118 PaquinimoCCc1cccc2c1c(O)c(C(=O)N([#6](-,:[#7] P00533 DrugBank 1 0.18

DB16267 OlutasidenCC(Nc1ccc(C#N)n(C)c1=O)c[#6](-,:[#7] P00533 DrugBank 1 0.18

DB06851 N-(pyridin- c1ccc(NCc2cccnc2)cc1 [#6](-,:[#7] P00533 DrugBank 1 0.17

DB13119 GSK-3647 Cn1c(=O)c(C(=O)NCCO)c(O)
[#6](-,:[#7] P00533 DrugBank 1 0.17

DB09220 Nicorandil O=C(NCCO[N+](=O)[O-])c1c[#6](-,:[#7] P00533 DrugBank 1 0.16

DB12585 Ondelopra NC(=O)c1ccc(Oc2ccc(CNC [#6](-,:[#7] P00533 DrugBank 1 0.16

DB15229 CNV-2197 Cc1ncccc1C(=O)N1CCN(S(=O

[#6](-,:[#7] P00533 DrugBank 1 0.15

DB01854 5-BromonicNC(=O)c1cncc(Br)c1 [#6](-,:[#7] P00533 DrugBank 1 0.14

DB04764 [4-(3-AMI NCc1cccc(C2CCN(C(=O)c3c[#6](-,:[#7] P00533 DrugBank 1 0.14

DB11710 Trigonella C[n+]1cccc(C(N)=O)c1 [#6](-,:[#7] P00533 DrugBank 1 0.14

DB12792 Boscalid O=C(Nc1ccccc1-c1ccc(Cl)cc[#6](-,:[#7] P00533 DrugBank 1 0.14

DB13407 NifenazoneCc1c(NC(=O)c2cccnc2)c(=O)[#6](-,:[#7] P00533 DrugBank 1 0.14

DB06397 Nicaraven CC(CNC(=O)c1cccnc1)NC(=[#6](-,:[#7] P00533 DrugBank 1 0.13

DB00184 Nicotine CN1CCCC1c1cccnc1 [#6](-,:[#7] P00533 DrugBank 1 0.12

DB04864 Huperzine CC=C1C2C=C(C)CC1(N)c1cc

[#6](-,:[#7] P00533 DrugBank 1 0.12

DB11877 BasmisanilCc1onc(-c2ccc(F)cc2)c1CO [#6](-,:[#7] P00533 DrugBank 1 0.12

DB13655 NikethamidCCN(CC)C(=O)c1cccnc1 [#6](-,:[#7] P00533 DrugBank 1 0.12

DB05861 Tasquinim COc1cccc2c1c(O)c(C(=O)N(C

[#6](-,:[#7] P00533 DrugBank 1 0.11

DB11863 Alvelestat Cc1c(-c2ccnn2C)cc(C(=O)NC

[#6](-,:[#7] P00533 DrugBank 1 0.11

DB13327 PicotamideCOc1ccc(C(=O)NCc2cccnc2[#6](-,:[#7] P00533 DrugBank 1 0.11

DB03205 Pyrroloqui O=C(O)c1cc(C(=O)O)c2c(n1[#6](-,:[#7] P00533 DrugBank 1 0.1

DB08358 2-(2-QUIN O=C1NCCc2[nH]c(-c3ccnc(-c
[#6](-,:[#7] P00533 DrugBank 1 0.1

DB15028 MK-1064 COc1ccc(CNC(=O)c2cc(-c3c[#6](-,:[#7] P00533 DrugBank 1 0.1

DB08251 4-[5-(2-C O=CC(CC(=O)O)NC(=O)c1cnc

[#6](-,:[#7] P00533 DrugBank 1 0.09

DB08883 PerampaneN#Cc1ccccc1-c1cc(-c2ccccn[#6](-,:[#7] P00533 DrugBank 1 0.09

DB15450 PF-051056CC(c1ccc(F)cc1)N(Cc1cccc([#6](-,:[#7] P00533 DrugBank 1 0.09

DB13531 NicofetamiO=C(NC(Cc1ccccc1)c1ccccc[#6](-,:[#7] P00533 DrugBank 1 0.07

DB02701 Nicotinami NC(=O)c1cccnc1 [#6](-,:[#7] P00533 DrugBank 1 0.06

DB11366 RoquinimeCN(C(=O)c1c(O)c2ccccc2n( [#6](-,:[#7] P00533 DrugBank 1 0.06

DB01628 Etoricoxib Cc1ccc(-c2ncc(Cl)cc2-c2ccc[#6](-,:[#7] P00533 DrugBank 1 0.05

DB07445 N'-[(1E) O=C(NN=Cc1cc(Br)c(O)c(Br[#6](-,:[#7] P00533 DrugBank 1 0.05

DB08840 N-methylniCNC(=O)c1cccnc1 [#6](-,:[#7] P00533 DrugBank 1 0.04

DB15569 Sotorasib C=CC(=O)N1CCN(c2nc(=O)n(

[#6](:,-[#7] P00533 DrugBank 1 0.77

DB14867 ParsaclisibCCOc1c(C(C)n2nc(C)c3c(N)[#6](:,-[#7] P00533 DrugBank 1 0.75

DB08146 7-(2,5-dihyNc1ncc2cc(-c3ccccc3)c(N3 [#6](:,-[#7] P00533 DrugBank 1 0.62

DB08144 6-(2,6-dibr Nc1ncc2cc(-c3c(Br)cccc3Br)[#6](:,-[#7] P00533 DrugBank 1 0.56

DB07563 1-{7-cyclohCN1CCN(c2ccc(Cc3cc4cnc [#6](:,-[#7] P00533 DrugBank 1 0.55

DB11974 PF-046915COc1ccc(-c2cc3c(C)nc(N) [#6](:,-[#7] P00533 DrugBank 1 0.42

DB08145 6-(2,6-DI COc1cccc(OC)c1-c1cc2cnc([#6](:,-[#7] P00533 DrugBank 1 0.31

DB08026 2-{4-[(4-im CNC(=O)CN1CCC(Nc2nccc(-
[#6](:[#6]):[P00533 DrugBank 1 0.75

DB01933 7-HydroxysCNC1CC2OC(C)(C1OC)n1c3c
[#6](:[#6]):[P00533 DrugBank 1 0.74

DB04006 [2-Amino-6-Nc1nc2ccc(C(=O)c3c(F)ccc [#6](:[#6]):[P00533 DrugBank 1 0.72

DB07889 (2S)-1-(DimCc1nc2ccccn2c1-c1ccnc(Nc[#6](:[#6]):[P00533 DrugBank 1 0.72

DB02538 N-[4-(2-MetCC(=O)Nc1nccc(-c2c(C)nc3 [#6](:[#6]):[P00533 DrugBank 1 0.58

DB12874 QuizartinibCC(C)(C)c1cc(NC(=O)Nc2cc[#6](:[#6]):[P00533 DrugBank 1 0.58

DB12975 Pyronaridi COc1ccc2nc3cc(Cl)ccc3c( [#6](:[#6]):[P00533 DrugBank 1 0.57

DB06530 ResiquimoCCOCc1nc2c(N)nc3ccccc3c[#6](:[#6]):[P00533 DrugBank 1 0.55

DB12476 CPG-5285CCc1nc2c(N)nc3ccccc3c2n [#6](:[#6]):[P00533 DrugBank 1 0.54

DB05772 RabeximodCc1cc2nc3c4cc(Cl)ccc4n(C [#6](:[#6]):[P00533 DrugBank 1 0.5

DB08023 N-cyclohexy
CN(c1nccc(-c2cnc3ccccn2 [#6](:[#6]):[P00533 DrugBank 1 0.5

DB00425 Zolpidem Cc1ccc(-c2nc3ccc(C)cn3c2 [#6](:[#6]):[P00533 DrugBank 1 0.46

DB00724 Imiquimod CC(C)Cn1cnc2c(N)nc3ccccc[#6](:[#6]):[P00533 DrugBank 1 0.46

DB02010 StaurosporCNC1CC2OC(C)(C1OC)n1c3c
[#6](:[#6]):[P00533 DrugBank 1 0.46

DB12167 LY-302341COC(C)Cn1c(=O)n(C)c2cnc3c
[#6](:[#6]):[P00533 DrugBank 1 0.44

DB04437 Cysteine-MNC(CSCC(=O)Nc1cc2cccnc2[#6](:[#6]):[P00533 DrugBank 1 0.42

DB11832 CrenolanibCC1(COc2ccc3c(c2)ncn3-c [#6](:[#6]):[P00533 DrugBank 1 0.42

DB00845 Clofazimin CC(C)N=c1cc2n(-c3ccc(Cl)c[#6](:[#6]):[P00533 DrugBank 1 0.38

DB01220 Rifaximin COC1/C=C\OC2(C)Oc3c(C)c(
[#6](:[#6]):[P00533 DrugBank 1 0.36

DB02197 4-[(4-Imid NS(=O)(=O)c1ccc(Nc2nccc(-[#6](:[#6]):[P00533 DrugBank 1 0.34

DB13745 FazadiniumCc1c(-c2ccccc2)n(N=Nn2c(-c[#6](:[#6]):[P00533 DrugBank 1 0.34

DB14982 MiransertibNc1ncccc1-c1nc2ccc(-c3ccc[#6](:[#6]):[P00533 DrugBank 1 0.34

DB13593 Zolimidine CS(=O)(=O)c1ccc(-c2cn3ccc[#6](:[#6]):[P00533 DrugBank 1 0.29

DB06517 MLN576 COc1cccc2c1ccc1nc3cccc( [#6](:[#6]):[P00533 DrugBank 1 0.28

DB11651 Dactolisib Cn1c(=O)n(-c2ccc(C(C)(C)C[#6](:[#6]):[P00533 DrugBank 1 0.28

DB06362 BecatecariCCN(CC)CCN1C(=O)c2c(c3c4
[#6](:[#6]):[P00533 DrugBank 1 0.25

DB12689 AzeliragonCCCCc1nc(-c2ccc(OCCCN(CC
[#6](:[#6]):[P00533 DrugBank 1 0.24
DB01659 3-(1,10-PheNC(Cc1ccc2ccc3cccnc3c2n [#6](:[#6]):[P00533 DrugBank 1 0.23

DB02152 K-252a COC(=O)C1(O)CC2OC1(C)n1

[#6](:[#6]):[P00533 DrugBank 1 0.23

DB08440 N-1,10-pheCC(=O)Nc1cc2cccnc2c2ncc[#6](:[#6]):[P00533 DrugBank 1 0.23

DB07471 5-[5,6-BI COc1cc2ncn(-c3cc(OC(C)c4[#6](:[#6]):[P00533 DrugBank 1 0.22

DB02310 3,5,6,8-Te Cc1cnc2c(c1)c(C)c(C)c1cc(C[#6](:[#6]):[P00533 DrugBank 1 0.2

DB06888 (13R,15S) CC1CC2CN1CCn1[nH]c3c(cc

[#6](:[#6]):[P00533 DrugBank 1 0.2

DB05403 CEP-1347 CCSCc1ccc2c(c1)c1c3c(c4 [#6](:[#6]):[P00533 DrugBank 1 0.18

DB06364 XR5944 Cc1cccc2nc3cccc(C(=O)NC [#6](:[#6]):[P00533 DrugBank 1 0.18

DB07058 5-[1-(4-metCOc1ccc(-n2cnc3ccc(-c4n[n[#6](:[#6]):[P00533 DrugBank 1 0.18

DB06469 Lestaurtini CC12OC(CC1(O)CO)n1c3ccc
[#6](:[#6]):[P00533 DrugBank 1 0.15

DB07972 1-(3-METHCc1cccc(-n2cnc3cc(N)ccc32[#6](:[#6]):[P00533 DrugBank 1 0.15

DB13835 CaroverineCCN(CC)CCn1c(=O)c(Cc2cc[#6](:[#6]):[P00533 DrugBank 1 0.14

DB14729 RebeccamyCOC1C(CO)OC(n2c3c(Cl)ccc
[#6](:[#6]):[P00533 DrugBank 1 0.13

DB08299 4-[8-(3-nit O=C(O)c1ccc(-c2cc3cccnc3c(

[#6](:[#6]):[P00533 DrugBank 1 0.11

DB08738 1-{3-oxo-3-O=C(C1CCCN1C(=O)CCn1c(=
[#6](:[#6]):[P00533 DrugBank 1 0.09

DB02365 1,10-Phenac1cnc2c(c1)ccc1cccnc12 [#6](:[#6]):[P00533 DrugBank 1 0.07

DB02586 4,7-Dimethy
Cc1ccnc2c1ccc1c(C)ccnc12[#6](:[#6]):[P00533 DrugBank 1 0.07

DB08036 6,7,12,13-tO=C1NCc2c1c1c3ccccc3[nH]
[#6](:[#6]):[P00533 DrugBank 1 0.07
DB03509 2-(4-Chlor NC(=O)c1cccc2ncc(-c3ccc(C[#6](:[#6]):[P00533 DrugBank 1 0.05

DB08683 REL-(9R,1O=C1NC(=O)c2c1c1c3cccc [#6](:[#6]):[P00533 DrugBank 1 0.05

DB07241 7-carboxy-5O=C(O)c1[nH]c(O)c2c1c1c3c[#6](:[#6]):[P00533 DrugBank 1 0.04

DB06595 Midostauri COC1C(N(C)C(=O)c2ccccc2[#6](:[#6]):[P00533 DrugBank 1 0.02

DB04882 EdotecarinO=C1c2c(c3c4ccc(O)cc4n( [#6](:[#6]):[P00533 DrugBank 1 0

DB14944 Tarloxotini Cn1cnc([N+](=O)[O-])c1C[N [#6](:[#6]:[ P00533 DrugBank 1 0.99

DB11907 Rociletinib C=CC(=O)Nc1cccc(Nc2nc(N[#6](:[#6]:[ P00533 DrugBank 1 0.98

DB11764 Spebrutini C=CC(=O)Nc1cccc(Nc2nc(N[#6](:[#6]:[ P00533 DrugBank 1 0.96

DB15169 H3B-6527 C=CC(=O)Nc1cc(N2CCN(CC)C

[#6](:[#6]:[ P00533 DrugBank 1 0.89
DB12966 FalnidamolCN1CCC(Nc2ncc3ncnc(Nc4cc
[#6](:[#6]:[ P00533 DrugBank 1 0.88

DB12706 Seletalisib [O-][n+]1cccc(-c2nc3c(Cl)c [#6](:[#6]:[ P00533 DrugBank 1 0.85

DB12267 Brigatinib COc1cc(N2CCC(N3CCN(C)CC

[#6](:[#6]:[ P00533 DrugBank 1 0.83

DB07751 (2S)-1-[4-( CN(C)CC(O)COc1ccc(Nc2cc(

[#6](:[#6]:[ P00533 DrugBank 1 0.79

DB07761 (2R)-1-[4-( CN(C)CC(O)COc1ccc(Nc2cc(

[#6](:[#6]:[ P00533 DrugBank 1 0.79

DB14723 LarotrectinO=C(Nc1cnn2ccc(N3CCCC3c
[#6](:[#6]:[ P00533 DrugBank 1 0.78

DB02963 (5-ChloropCS(=O)(=O)c1ccc(Nc2cc(Cl)[#6](:[#6]:[ P00533 DrugBank 1 0.75

DB13060 CEP-37440CNC(=O)c1ccccc1Nc1nc(Nc[#6](:[#6]:[ P00533 DrugBank 1 0.75

DB15295 Tenalisib CCC(Nc1ncnc2[nH]cnc12)c1o

[#6](:[#6]:[ P00533 DrugBank 1 0.73
DB16308 RevaprazaCc1nc(Nc2ccc(F)cc2)nc(N2 [#6](:[#6]:[ P00533 DrugBank 1 0.73

DB01893 N6-Benzyl O=P(O)(O)OP(=O)(O)OCC1O

[#6](:[#6]:[ P00533 DrugBank 1 0.72

DB05511 Piclidenos CNC(=O)C1OC(n2cnc3c(NCc

[#6](:[#6]:[ P00533 DrugBank 1 0.72

DB08325 2-({6-[(3-C CC(C)n1cnc2c(Nc3cccc(Cl) [#6](:[#6]:[ P00533 DrugBank 1 0.71

DB04776 (2R)-2-({6- CCC(CO)Nc1nc(N(C)Cc2cccc

[#6](:[#6]:[ P00533 DrugBank 1 0.7

DB12558 AEE-788 CCN1CCN(Cc2ccc(-c3cc4c(N

[#6](:[#6]:[ P00533 DrugBank 1 0.7

DB12885 CF-102 CNC(=O)C1OC(n2cnc3c(NCc4

[#6](:[#6]:[ P00533 DrugBank 1 0.7

DB14790 BPN-14770NC(=O)Cc1ccc(Nc2cc(C(F)(F)
[#6](:[#6]:[ P00533 DrugBank 1 0.7

DB16061 SamuraciclCC(C)c1cnn2c(NCc3ccccc3 [#6](:[#6]:[ P00533 DrugBank 1 0.7

DB11952 Duvelisib CC(Nc1ncnc2[nH]cnc12)c1cc
[#6](:[#6]:[ P00533 DrugBank 1 0.69

DB03531 Flavin-adenCc1cc2c(cc1C)N(C(=O)C(C [#6](:[#6]:[ P00533 DrugBank 1 0.68

DB07054 (2R)-1-(D CN(C)CC(O)COc1ccc(Nc2cc(

[#6](:[#6]:[ P00533 DrugBank 1 0.68

DB02733 PurvalanolCC(C)C(CO)Nc1nc(Nc2ccc(C
[#6](:[#6]:[ P00533 DrugBank 1 0.66

DB07698 3-(3-aminop
Nc1cccc(-c2cnn3ccc(Nc4cccc
[#6](:[#6]:[ P00533 DrugBank 1 0.66

DB04751 PurvalanolCC(C)C(CO)Nc1nc(Nc2cccc([#6](:[#6]:[ P00533 DrugBank 1 0.64

DB07255 N'-(5-CHL Clc1ccc2c(c1Nc1ccnc(Nc3 [#6](:[#6]:[ P00533 DrugBank 1 0.64

DB07967 9-CYCLOPE
N#Cc1nc(Nc2ccccc2OCCCn2
[#6](:[#6]:[ P00533 DrugBank 1 0.63

DB11759 PevonedistNS(=O)(=O)OCC1CC(n2ccc3
[#6](:[#6]:[ P00533 DrugBank 1 0.62
DB03331 N-naphthalCOc1cc(OC)cc(C(=O)NC2C([#6](:[#6]:[ P00533 DrugBank 1 0.61

DB04477 2'-Deoxy-2'COc1cc(OC)cc(C(=O)NC2C([#6](:[#6]:[ P00533 DrugBank 1 0.6

DB12760 GW-49383CC(C)(C)c1nnc(C2OC(n3cnc[#6](:[#6]:[ P00533 DrugBank 1 0.6

DB02116 OlomoucinCn1cnc2c(NCc3ccccc3)nc( [#6](:[#6]:[ P00533 DrugBank 1 0.56

DB06195 Seliciclib CCC(CO)Nc1nc(NCc2ccccc2[#6](:[#6]:[ P00533 DrugBank 1 0.55

DB06321 R-348 C#CCOc1ccc(Nc2nc(Nc3ccc(

[#6](:[#6]:[ P00533 DrugBank 1 0.55

DB08008 5-methyl-N-Cc1cc(Nc2ccc(C(F)(F)F)cc2 [#6](:[#6]:[ P00533 DrugBank 1 0.55

DB08463 (2R)-2-({9- CCC(CO)Nc1nc(NCc2ccc(-c3

[#6](:[#6]:[ P00533 DrugBank 1 0.55

DB07501 (2S)-1-{4-[ CN(C)CC(O)COc1ccc(Nc2ncc

[#6](:[#6]:[ P00533 DrugBank 1 0.54
DB07504 (2R)-1-{4-[ CN(C)CC(O)COc1ccc(Nc2ncc
[#6](:[#6]:[ P00533 DrugBank 1 0.54

DB08242 N,4-dimethy
CNC(=O)c1ccc(C)c(Nc2ncnc[#6](:[#6]:[ P00533 DrugBank 1 0.54

DB12397 DSM-265 Cc1cc(Nc2ccc(S(F)(F)(F)(F) [#6](:[#6]:[ P00533 DrugBank 1 0.54

DB04662 OLOMOUCI
CCC(CO)Nc1nc(NCc2ccccc2[#6](:[#6]:[ P00533 DrugBank 1 0.53

DB07175 N-{2-methyCc1ccc(Nc2cc(-c3ccccc3)nc[#6](:[#6]:[ P00533 DrugBank 1 0.53

DB08095 3-(2-CHLOCOc1ccc(N(C(=O)Nc2ccccc2[#6](:[#6]:[ P00533 DrugBank 1 0.53

DB15670 GusacitinibN#CCC1CCN(c2nc(Nc3ccc(N
[#6](:[#6]:[ P00533 DrugBank 1 0.53

DB07584 N-[2-(5-metCc1nnc(-c2ccccc2Nc2ncnc3[[#6](:[#6]:[ P00533 DrugBank 1 0.51

DB08006 N-anthracen
Cc1cc(Nc2ccc3cc4ccccc4cc[#6](:[#6]:[ P00533 DrugBank 1 0.51
DB07750 (2R)-1-[4-( CN(C)CC(O)COc1ccc(Nc2ncc
[#6](:[#6]:[ P00533 DrugBank 1 0.5

DB07755 (2S)-1-[4-( CN(C)CC(O)COc1ccc(Nc2ncc

[#6](:[#6]:[ P00533 DrugBank 1 0.5

DB07250 N'-(5-CHL COc1cc(Nc2nccc(Nc3c(Cl) [#6](:[#6]:[ P00533 DrugBank 1 0.48

DB12687 VesatolimoCCCCOc1nc(N)c2c(n1)N(Cc[#6](:[#6]:[ P00533 DrugBank 1 0.48

DB16191 Ifidancitini COc1cc(Nc2ncc(C)c(Nc3ccc4

[#6](:[#6]:[ P00533 DrugBank 1 0.48

DB07379 (2S)-2-({6- CC(C)C(CO)Nc1nc(Nc2cc(N)c

[#6](:[#6]:[ P00533 DrugBank 1 0.47

DB14921 MavacamteCC(Nc1cc(=O)n(C(C)C)c(=O)
[#6](:[#6]:[ P00533 DrugBank 1 0.47

DB07845 2-fluoro-6- COc1cc(CS(C)(=O)=O)ccc1N

[#6](:[#6]:[ P00533 DrugBank 1 0.46

DB08042 N~4~-methy
COc1cc(Nc2nccc(N(C)c3ccc[#6](:[#6]:[ P00533 DrugBank 1 0.46
DB08864 Rilpivirine Cc1cc(C=CC#N)cc(C)c1Nc1c
[#6](:[#6]:[ P00533 DrugBank 1 0.45

DB01349 TasosartanCc1nc(C)c2c(n1)N(Cc1ccc(-[#6](:[#6]:[ P00533 DrugBank 1 0.44

DB06237 Avanafil COc1ccc(CNc2nc(N3CCCC3C

[#6](:[#6]:[ P00533 DrugBank 1 0.44

DB07254 N-[3-[[4- CS(=O)(=O)Nc1cccc(Nc2ncc[#6](:[#6]:[ P00533 DrugBank 1 0.44

DB07460 2-({5-CH CNC(=O)c1ccccc1Nc1nc(Nc[#6](:[#6]:[ P00533 DrugBank 1 0.44

DB15187 DubermatinCN1CCN(Cc2ccc(Nc3ncc(Cl)[#6](:[#6]:[ P00533 DrugBank 1 0.44

DB07545 N-{3-[(4 O=C(Nc1cccc(Nc2nccc(Nc3c[#6](:[#6]:[ P00533 DrugBank 1 0.43

DB07685 4-{[5-(CY NS(=O)(=O)c1ccc(Nc2cc(O [#6](:[#6]:[ P00533 DrugBank 1 0.43

DB11886 Infigratinib CCN1CCN(c2ccc(Nc3cc(N(C)

[#6](:[#6]:[ P00533 DrugBank 1 0.43
DB03307 4-[(6-Amin Nc1cc(Nc2ccc(S(N)(=O)=O)c[#6](:[#6]:[ P00533 DrugBank 1 0.4

DB07256 3-({4-[(5 NC(=O)c1cccc(Nc2nccc(Nc3[#6](:[#6]:[ P00533 DrugBank 1 0.4

DB07253 N'-(5-chlor CS(=O)(=O)c1cccc(Nc2nccc[#6](:[#6]:[ P00533 DrugBank 1 0.38

DB12500 Fedratinib Cc1cnc(Nc2ccc(OCCN3CCCC

[#6](:[#6]:[ P00533 DrugBank 1 0.38

DB07688 4-{[5-(CY NS(=O)(=O)c1ccc(Nc2cc(O [#6](:[#6]:[ P00533 DrugBank 1 0.36

DB09063 Ceritinib Cc1cc(Nc2ncc(Cl)c(Nc3ccc [#6](:[#6]:[ P00533 DrugBank 1 0.35

DB04288 2-[Trans-( NC1CCC(Nc2nc(NCc3ccccc[#6](:[#6]:[ P00533 DrugBank 1 0.34

DB08519 N~4~-(3-me
COc1cc(Nc2nccc(Nc3ccc4c([#6](:[#6]:[ P00533 DrugBank 1 0.34

DB08513 [4-({5-(A Cc1cccc(Nc2nc(Nc3ccc(CC([#6](:[#6]:[ P00533 DrugBank 1 0.31

DB08639 Dapivirine Cc1cc(C)c(Nc2ccnc(Nc3ccc([#6](:[#6]:[ P00533 DrugBank 1 0.3

DB06589 PazopanibCc1ccc(Nc2nccc(N(C)c3ccc4[#6](:[#6]:[ P00533 DrugBank 1 0.28

DB07268 2-({2-[(3 NC(=O)c1ccccc1Nc1ccnc(Nc[#6](:[#6]:[ P00533 DrugBank 1 0.28

DB01888 4-[5-(Tran CC(C)c1cnn2c(Nc3ccc(S(=O[#6](:[#6]:[ P00533 DrugBank 1 0.27

DB07687 4-({5-[(4 NC1CCC(Nc2cc(Nc3ccc(S(N[#6](:[#6]:[ P00533 DrugBank 1 0.26

DB07686 4-{[5-(CY NS(=O)(=O)c1ccc(Nc2cc(N [#6](:[#6]:[ P00533 DrugBank 1 0.25

DB08361 2-{[(1R,2S Cc1cccc(Nc2nc(NC3CCCCC3

[#6](:[#6]:[ P00533 DrugBank 1 0.25

DB07252 3-({4-[(5-c NS(=O)(=O)c1cccc(Nc2nccc[#6](:[#6]:[ P00533 DrugBank 1 0.22

DB12868 Intoplicine Cc1cnc(NCCCN(C)C)c2c1[nH

[#6]-,:[#7]-,P00533 DrugBank 1 0.74
DB08774 1-[(2S)-4-( NCC1CN(c2c(-c3ccccc3)cnc[#6]-,:[#7]-,P00533 DrugBank 1 0.53

DB01103 QuinacrineCCN(CC)CCCC(C)Nc1c2ccc(
[#6]-[#7]-[#P00533 DrugBank 1 0.75

DB01611 HydroxychlCCN(CCO)CCCC(C)Nc1ccnc2
[#6]-[#7]-[#P00533 DrugBank 1 0.74

DB00608 ChloroquinCCN(CC)CCCC(C)Nc1ccnc2c
[#6]-[#7]-[#P00533 DrugBank 1 0.72

DB11943 DelafloxaciNc1nc(-n2cc(C(=O)O)c(=O)c[#6]-[#7]-[#P00533 DrugBank 1 0.7

DB02240 QuinacrineCOc1ccc2nc3cc(Cl)ccc3c(N [#6]-[#7]-[#P00533 DrugBank 1 0.63

DB06771 BesifloxaciNC1CCCCN(c2c(F)cc3c(=O)[#6]-[#7]-[#P00533 DrugBank 1 0.55

DB00978 LomefloxacCCn1cc(C(=O)O)c(=O)c2cc([#6]-[#7]-[#P00533 DrugBank 1 0.52

DB01059 NorfloxacinCCn1cc(C(=O)O)c(=O)c2cc [#6]-[#7]-[#P00533 DrugBank 1 0.5

DB16285 PelcitoclaxCc1c(S(C)(=O)=O)c(-c2cc( [#6]-[#7]-[#P00533 DrugBank 1 0.5

DB01044 Gatifloxaci COc1c(N2CCNC(C)C2)c(F)c[#6]-[#7]-[#P00533 DrugBank 1 0.48

DB00218 MoxifloxaciCOc1c(N2CC3CCCNC3C2)c(F
[#6]-[#7]-[#P00533 DrugBank 1 0.47

DB09047 FinafloxaciN#Cc1c(N2CC3NCCOC3C2)c(
[#6]-[#7]-[#P00533 DrugBank 1 0.47

DB00537 CiprofloxacO=C(O)c1cn(C2CC2)c2cc(N[#6]-[#7]-[#P00533 DrugBank 1 0.46

DB04616 TACRINE(c1ccc2c(NCCCCCCCCNc3c4
[#6]-[#7]-[#P00533 DrugBank 1 0.46

DB07940 9-(3-IODO Ic1cccc(CNc2c3c(nc4ccccc [#6]-[#7]-[#P00533 DrugBank 1 0.46

DB11443 OrbifloxaciCC1CN(c2c(F)c(F)c3c(=O)c [#6]-[#7]-[#P00533 DrugBank 1 0.46

DB00365 GrepafloxaCc1c(F)c(N2CCNC(C)C2)cc[#6]-[#7]-[#P00533 DrugBank 1 0.45

DB14025 ClinafloxacNC1CCN(c2c(F)cc3c(=O)c(C[#6]-[#7]-[#P00533 DrugBank 1 0.44

DB11453 PradofloxaN#Cc1c(N2CC3CCCNC3C2)c(
[#6]-[#7]-[#P00533 DrugBank 1 0.43

DB15221 PF-062604CC1CNS(=O)(=O)N(c2ccc3c[#6]-[#7]-[#P00533 DrugBank 1 0.43

DB01208 SparfloxaciCC1CN(c2c(F)c(N)c3c(=O)c[#6]-[#7]-[#P00533 DrugBank 1 0.42

DB13261 Sitafloxaci NC1CN(c2c(F)cc3c(=O)c(C [#6]-[#7]-[#P00533 DrugBank 1 0.42

DB11404 EnrofloxaciCCN1CCN(c2cc3c(cc2F)c(=[#6]-[#7]-[#P00533 DrugBank 1 0.41

DB11892 PrulifloxaciCc1oc(=O)oc1CN1CCN(c2cc[#6]-[#7]-[#P00533 DrugBank 1 0.41

DB02226 3,8-Diamino
Nc1ccc2c(c1)c(-c1ccccc1) [#6]-[#7]-[#P00533 DrugBank 1 0.39

DB03005 3,8-Diamino
Nc1ccc2c(c1)c(-c1ccccc1) [#6]-[#7]-[#P00533 DrugBank 1 0.39
DB06600 Nemonoxac
COc1c(N2CC(C)CC(N)C2)cc[#6]-[#7]-[#P00533 DrugBank 1 0.39

DB12447 NadifloxaciCC1CCc2c(N3CCC(O)CC3)c(
[#6]-[#7]-[#P00533 DrugBank 1 0.39

DB16219 Levonadifl CC1CCc2c(N3CCC(O)CC3)c(

[#6]-[#7]-[#P00533 DrugBank 1 0.39

DB13941 PiperaquinClc1ccc2c(N3CCN(CCCN4CC
[#6]-[#7]-[#P00533 DrugBank 1 0.38

DB16277 PaltusotineN#Cc1cccc(-c2ccc3ncc(-c4c[#6]-[#7]-[#P00533 DrugBank 1 0.37

DB03672 9-N-Phenylc1ccc(CNc2c3c(nc4ccccc24 [#6]-[#7]-[#P00533 DrugBank 1 0.35

DB11393 DanofloxacCN1CC2CC1CN2c1cc2c(cc1[#6]-[#7]-[#P00533 DrugBank 1 0.34

DB00487 Pefloxacin CCn1cc(C(=O)O)c(=O)c2cc([#6]-[#7]-[#P00533 DrugBank 1 0.33

DB01137 LevofloxacCC1COc2c(N3CCN(C)CC3)c(
[#6]-[#7]-[#P00533 DrugBank 1 0.28
DB01165 Ofloxacin CC1COc2c(N3CCN(C)CC3)c(
[#6]-[#7]-[#P00533 DrugBank 1 0.28

DB03034 D-LevofloxCC1COc2c(N3CCN(C)CC3)c(
[#6]-[#7]-[#P00533 DrugBank 1 0.28

DB04576 Fleroxacin CN1CCN(c2c(F)cc3c(=O)c( [#6]-[#7]-[#P00533 DrugBank 1 0.26

DB11426 MarbofloxaCN1CCN(c2c(F)cc3c(=O)c( [#6]-[#7]-[#P00533 DrugBank 1 0.26

DB13772 Rufloxacin CN1CCN(c2c(F)cc3c(=O)c( [#6]-[#7]-[#P00533 DrugBank 1 0.24

DB13640 AcetoxolonCC(=O)OC1CCC2(C)C(CCC3
[#6]1-[#6]-[P00533 DrugBank 1 0.25

DB02329 CarbenoxoCC1(C(=O)O)CCC2(C)CCC3[#6]1-[#6]-[P00533 DrugBank 1 0.23

DB13089 EnoxoloneCC1(C(=O)O)CCC2(C)CCC3[#6]1-[#6]-[P00533 DrugBank 1 0.18

DB13751 Glycyrrhizi CC1(C(=O)O)CCC2(C)CCC3[#6]1-[#6]-[P00533 DrugBank 1 0.18

DB14081 AsiaticosidCC1CCC2(C(=O)OC3OC(COC
[#6]1-[#6]-[P00533 DrugBank 1 0.15

DB15532 MadecassoCC1CCC2(C(=O)OC3OC(COC
[#6]1-[#6]-[P00533 DrugBank 1 0.15

DB15774 beta-EscinCC=C(C)C(=O)OC1C(OC(C)[#6]1-[#6]-[P00533 DrugBank 1 0.14

DB15907 Escin CC=C(C)C(=O)OC1C(OC(C)[#6]1-[#6]-[P00533 DrugBank 1 0.14

DB15588 Ursolic aci CC1CCC2(C(=O)O)CCC3(C)[#6]1-[#6]-[P00533 DrugBank 1 0.13

DB14037 MadecassicCC1CCC2(C(=O)O)CCC3(C)[#6]1-[#6]-[P00533 DrugBank 1 0.06

DB14054 Asiatic aci CC1CCC2(C(=O)O)CCC3(C)[#6]1-[#6]-[P00533 DrugBank 1 0.06

DB15035 ZanubrutinC=CC(=O)N1CCC(C2CCNc3c(
[#6]1-[#6]-[P00533 DrugBank 1 0.95

DB16228 MavelertiniC=CC(=O)NC1CN(c2nc(Nc3c
[#6]1-[#6]-[P00533 DrugBank 1 0.9
DB03341 CoA-S-acetCC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.89

DB03962 Nicotinami NC(=O)c1ccc[n+](C2OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.85

DB13046 TocladesinNc1ncnc2c1nc(Cl)n2C1OC [#6]1-[#8]-[P00533 DrugBank 1 0.81

DB05553 Regrelor CCNC(=O)Nc1ncnc2c1ncn2[#6]1-[#8]-[P00533 DrugBank 1 0.78

DB04117 4-(N,N-DimCN(C)c1ccc(C=CC(=O)SCCN
[#6]1-[#8]-[P00533 DrugBank 1 0.74

DB13242 BucladesinCCCC(=O)Nc1ncnc2c1ncn [#6]1-[#8]-[P00533 DrugBank 1 0.74

DB08237 2'-deoxy-NO=c1[nH]c(NCc2cccc3cccc [#6]1-[#8]-[P00533 DrugBank 1 0.73

DB03923 Feruloyl C COc1cc(C=CC(=O)SCCNC(=O

[#6]1-[#8]-[P00533 DrugBank 1 0.72

DB03179 Sinapoyl c COc1cc(C=CC(=O)SCCNC(=O

[#6]1-[#8]-[P00533 DrugBank 1 0.71
DB01777 CoA-S-trimCC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.69

DB02516 (R)-carniti CC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.69

DB02931 CoA-s-acetCC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.69

DB03613 4-hydroxypCC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.69

DB04067 4-hydroxybCC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.69

DB06441 Cangrelor CSCCNc1nc(SCCC(F)(F)F)n[#6]1-[#8]-[P00533 DrugBank 1 0.69

DB03168 Nicotinami NC(=O)c1c[n+](C2OC(COP([#6]1-[#8]-[P00533 DrugBank 1 0.68

DB03797 3-Aminomet
NCc1ccc[n+](C2OC(COP(=O[#6]1-[#8]-[P00533 DrugBank 1 0.68

DB04421 Nicotinami CCC(=O)C(C)c1cc[n+](C2O [#6]1-[#8]-[P00533 DrugBank 1 0.68

DB01652 4-hydroxybCC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.67

DB02349 Nicotinami NC(=O)c1c[n+](C2OC(COP([#6]1-[#8]-[P00533 DrugBank 1 0.67

DB02732 [(2R,3S,4R,CC(=O)Cc1cc[n+](C2OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.67

DB03363 3-AcetylpyrCC(=O)c1ccc[n+](C2OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.67

DB03461 Nicotinami NC(=O)c1ccc[n+](C2OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.67

DB04099 Deamido-NNc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.67

DB14128 Nadide NC(=O)c1ccc[n+](C2OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.67

DB01763 7-thionico N=C(S)c1ccc[n+](C2OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.66

DB01792 Adenylyl-(3Nc1ncnc2c1ncn2C1OC(CO)C
[#6]1-[#8]-[P00533 DrugBank 1 0.66
DB02498 Carba-nicoNC(=O)c1ccc[n+](C2CC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.66

DB03893 Thionicoti N=C(S)c1ccc[n+](C2OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.66

DB04998 AGRO100 Cc1cn(C2CC(OP(=O)(O)OCC

[#6]1-[#8]-[P00533 DrugBank 1 0.66

DB07205 N6-ISOPE CC(C)CCNc1ncnc2c1ncn2C[#6]1-[#8]-[P00533 DrugBank 1 0.66

DB12896 PSI-35293CCOc1nc(N)nc2c1ncn2C1O[#6]1-[#8]-[P00533 DrugBank 1 0.66

DB15062 Inarigivir COC1C(OP(=O)(S)OCC2OC(n

[#6]1-[#8]-[P00533 DrugBank 1 0.66

DB15063 Inarigivir s COC1C(OP(=O)(OCC2OC(n3

[#6]1-[#8]-[P00533 DrugBank 1 0.66

DB01690 Bis(AdenosNc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.65

DB01717 Bis(AdenosNc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.65
DB01774 Adenosine-Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.65

DB02527 Cyclic ade Nc1ncnc2c1ncn2C1OC2CO[#6]1-[#8]-[P00533 DrugBank 1 0.65

DB02573 2'-deoxycyNc1ccn(C2CC(OP(=O)(O)OC
[#6]1-[#8]-[P00533 DrugBank 1 0.65

DB02654 6-hydroxy Cc1cc2c(nc3c(=O)[nH]c(=O [#6]1-[#8]-[P00533 DrugBank 1 0.65

DB03147 Flavin adenCc1cc2nc3c(=O)[nH]c(=O) [#6]1-[#8]-[P00533 DrugBank 1 0.65

DB03186 Adenylate-3
Nc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.65

DB03482 8-demethyl-Cc1cc2nc3c(=O)[nH]c(=O) [#6]1-[#8]-[P00533 DrugBank 1 0.65

DB04071 Cpad NC(=O)c1cccc(C2OC(COP(=[#6]1-[#8]-[P00533 DrugBank 1 0.65

DB14722 ADU-S100Nc1ncnc2c1ncn2C1OC2COP
[#6]1-[#8]-[P00533 DrugBank 1 0.65
DB01790 (Rp)-cAMPNc1ncnc2c1ncn2C1OC2COP
[#6]1-[#8]-[P00533 DrugBank 1 0.64

DB03280 p1-(5'-ade Cc1cn(C2CC(O)C(COP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.64

DB03349 8-Bromo-ANc1ncnc2c1nc(Br)n2C1OC( [#6]1-[#8]-[P00533 DrugBank 1 0.64

DB03447 Uridylyl-2' Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.64

DB03664 P1-(adenosNc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.64

DB14909 Imetelstat CCCCCCCCCCCCCCCC(=O)NCC

[#6]1-[#8]-[P00533 DrugBank 1 0.64

DB01831 TryptophanNc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.63

DB03126 Mant-Adp CNc1ccccc1C(=O)OC1CC(n2

[#6]1-[#8]-[P00533 DrugBank 1 0.63

DB03230 Adenosine-CCCOP(=O)(O)OCC1OC(n2c
[#6]1-[#8]-[P00533 DrugBank 1 0.63
DB03326 Deoxycytidy
Nc1ccn(C2CC(OP(=O)(O)OC
[#6]1-[#8]-[P00533 DrugBank 1 0.63

DB05487 Custirsen COCCOC1C(O)C(COP(=O)(S)

[#6]1-[#8]-[P00533 DrugBank 1 0.63

DB05528 MipomerseCOCCOC1C(O)C(COP(=O)(O)
[#6]1-[#8]-[P00533 DrugBank 1 0.63

DB06094 Apatorsen COCCOC1C(OP(O)(=S)OCC2O

[#6]1-[#8]-[P00533 DrugBank 1 0.63

DB11918 GuadecitabNc1ncn(C2CC(OP(=O)(O)OC
[#6]1-[#8]-[P00533 DrugBank 1 0.63

DB01675 MethacrylyC=C(C)C(=O)SCCNC(=O)CCN
[#6]1-[#8]-[P00533 DrugBank 1 0.62

DB01969 Trifluoroa CC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.62

DB04158 6-(adenosinNc1nc(=O)c2c([nH]1)NCC( [#6]1-[#8]-[P00533 DrugBank 1 0.62

DB04554 8-Bromoade
Nc1ncnc2c1nc(Br)n2C1OC( [#6]1-[#8]-[P00533 DrugBank 1 0.62
DB08163 5'-{[4-(ami C=Cc1nc2c(N)ncnc2n1C1O [#6]1-[#8]-[P00533 DrugBank 1 0.62

DB08185 2-METHYLCSc1nc(NCCC(C)C)c2ncn(C[#6]1-[#8]-[P00533 DrugBank 1 0.62

DB12443 SonedenosNc1nc(OCCc2ccc(Cl)cc2)n [#6]1-[#8]-[P00533 DrugBank 1 0.62

DB16089 AnivamersCOC1C(O)C(COP(=O)(O)OC[#6]1-[#8]-[P00533 DrugBank 1 0.62

DB01649 7-methyl- Cn1c[n+](C2OC(COP(=O)(O[#6]1-[#8]-[P00533 DrugBank 1 0.61

DB01753 4-oxo-nico NC(=O)C1C=[N+](C2OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.61

DB02315 Cyclic GM Nc1nc2c(ncn2C2OC3COP(=O

[#6]1-[#8]-[P00533 DrugBank 1 0.61

DB03845 P1-(5'-AdeCc1cn(C2CC(N=[N+]=[N-]) [#6]1-[#8]-[P00533 DrugBank 1 0.61

DB03958 7-methyl-gCn1c[n+](C2OC(COP(=O)(O)[#6]1-[#8]-[P00533 DrugBank 1 0.61

DB04389 Ado-P-Ch2Nc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.61

DB06451 AprinocarsCc1cn(C2CC(OP(O)(=S)OCC
[#6]1-[#8]-[P00533 DrugBank 1 0.61

DB11966 BMS-9860COc1nc(N)nc2c1ncn2C1OC([#6]1-[#8]-[P00533 DrugBank 1 0.61

DB14931 CobomarseCc1cn(C2OC3(CO)COC2C3OP
[#6]1-[#8]-[P00533 DrugBank 1 0.61

DB01829 Desulfo-c CCNC(=O)CCNC(=O)C(O)C(C

[#6]1-[#8]-[P00533 DrugBank 1 0.6

DB03182 alpha-FluoCC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.6

DB03698 5-MercaptoCCCCCC(CC=CC(=O)SCCNC(
[#6]1-[#8]-[P00533 DrugBank 1 0.6

DB00157 NADH NC(=O)C1=CN(C2OC(COP(=

[#6]1-[#8]-[P00533 DrugBank 1 0.59

DB01846 Oxidized c CC(C)(COP(=O)(O)OP(=O) [#6]1-[#8]-[P00533 DrugBank 1 0.59

DB02271 S-(2-oxo)pCCCCCCCCCCCCCC(=O)CSCC
[#6]1-[#8]-[P00533 DrugBank 1 0.59

DB02524 2',3'-O-{4- Nc1ncnc2c1ncn2C1OC(COP(=

[#6]1-[#8]-[P00533 DrugBank 1 0.59

DB03415 3-thiaocta CCCCCSCC(=O)SCCNC(=O)C

[#6]1-[#8]-[P00533 DrugBank 1 0.59

DB03638 Cytidyl-2' Nc1ccn(C2OC(CO)C(O)C2OP

[#6]1-[#8]-[P00533 DrugBank 1 0.59

DB03931 DiguanosinNc1nc(=O)c2ncn(C3OC(COP
[#6]1-[#8]-[P00533 DrugBank 1 0.59

DB04514 Uridylyl-2' Nc1nc(=O)c2ncn(C3OC(COP

[#6]1-[#8]-[P00533 DrugBank 1 0.59

DB02162 5'-O-(N-Et CCNS(=O)(=O)OCC1OC(n2c[#6]1-[#8]-[P00533 DrugBank 1 0.58

DB02319 5,6-dihydr NC(=O)C1=CN(C2OC(COP(=O

[#6]1-[#8]-[P00533 DrugBank 1 0.58

DB02338 NADPH NC(=O)C1=CN(C2OC(COP(=

[#6]1-[#8]-[P00533 DrugBank 1 0.58
DB02820 1-Azepan-1N=C(O)C1=CN(C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.58

DB02902 3'-phospho-Nc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.58

DB04036 Coenzyme CC(C)(COP(=O)(O)OP(=O)

A [#6]1-[#8]-[P00533 DrugBank 1 0.58

DB04230 NitromethyCC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.58

DB02180 Myristoyl- CCCCCCCCCCCCCC(=O)SCCN

[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB02483 Etheno-NANC(=O)c1ccc[n+](C2OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB02547 GuanosineCC1OC(OP(=O)(O)OP(=O)(O
[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB02563 Hexanoyl- CCCCCC(=O)SCCNC(=O)CCN

[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB02910 Octanoyl- CCCCCCCC(=O)SCCNC(=O)C

[#6]1-[#8]-[P00533 DrugBank 1 0.57
DB02912 Propanoyl CCC(=O)SCCNC(=O)CCNC(=
[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB03011 Adenosine-Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB03117 2-carboxypCC(CSCCNC(=O)CCNC(=O)C
[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB03192 (R)-3-hydr CCCCCCCC(O)CC(=O)SCCNC

[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB03245 S-4-NitrobuCC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.57

DB03264 Dodecyl-C CCCCCCCCCCCC(=O)SCCNC(

[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB04023 GDP-alpha-Nc1nc2c(ncn2C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB04602 PUROMYCI
CN(C)c1ncnc2c1ncn2C1OC[#6]1-[#8]-[P00533 DrugBank 1 0.57

DB02607 Adenosine Nc1ncnc2c1ncn2C1OC(COC[#6]1-[#8]-[P00533 DrugBank 1 0.56

DB03169 (S)-Hmg-CCC(O)(CC(=O)O)CC(=O)SCC
[#6]1-[#8]-[P00533 DrugBank 1 0.56

DB03318 6-Hydro-1-Cn1cnc2c(ncn2C2OC(COP([#6]1-[#8]-[P00533 DrugBank 1 0.56

DB03325 TyrosyladeNc1ncnc2c1ncn2C1OC(COS(
[#6]1-[#8]-[P00533 DrugBank 1 0.56

DB04362 Adenosine Cc1nc(C(=O)O)sc1CCOP(=O

[#6]1-[#8]-[P00533 DrugBank 1 0.56

DB00131 Adenosine Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.55

DB01661 1-(5-phospN=c1c2ncn(C3OC(COP(=O)[#6]1-[#8]-[P00533 DrugBank 1 0.55

DB02454 5-(6-AminoNc1ncnc2c1ncn2C1OCC(OP[#6]1-[#8]-[P00533 DrugBank 1 0.55

DB02798 Alpha-Met CP(=O)(O)OCC1OC(n2cnc3c

[#6]1-[#8]-[P00533 DrugBank 1 0.55

DB03059 AcetoacetyCC(=O)CC(=O)SCCNC(=O)C
[#6]1-[#8]-[P00533 DrugBank 1 0.55
DB03612 3-HydroxybCC(O)CC(=O)SCCNC(=O)CC
[#6]1-[#8]-[P00533 DrugBank 1 0.55

DB03708 Adenosine Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.55

DB03905 Succinami CC(C)(COP(=O)(O)OP(=O) [#6]1-[#8]-[P00533 DrugBank 1 0.55

DB04651 BIOTINOL-Nc1ncnc2c1ncn2C1OC(CO [#6]1-[#8]-[P00533 DrugBank 1 0.55

DB04754 GUANOSIN
Nc1nc(=O)c2ncn(C3OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.55

DB06843 2',5'-DI CC1OC(n2cnc3c(N)ncnc32) [#6]1-[#8]-[P00533 DrugBank 1 0.55

DB01812 Adenosine Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.54

DB01992 Coenzyme CC(C)(COP(=O)(O)OP(=O)([#6]1-[#8]-[P00533 DrugBank 1 0.54

DB02059 Adenosine-Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.54

DB02098 Adenosine-Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.54

DB02510 5'-O-(L-ProNc1ncnc2c1ncn2C1OC(COS[#6]1-[#8]-[P00533 DrugBank 1 0.54

DB02694 Pantoyl AdCC(C)(CO)C(O)C(=O)OP(=O[#6]1-[#8]-[P00533 DrugBank 1 0.54

DB03170 DephosphoCC(C)(COP(=O)(O)OP(=O) [#6]1-[#8]-[P00533 DrugBank 1 0.54

DB03478 2'-O-Acety CC(=O)OC1C(O)OC(COP(=O

[#6]1-[#8]-[P00533 DrugBank 1 0.54

DB04045 (R)-methyl CC(C(=O)O)C(=O)SCCNC(=O

[#6]1-[#8]-[P00533 DrugBank 1 0.54

DB13122 TrabodenoO=[N+]([O-])OCC1OC(n2cn [#6]1-[#8]-[P00533 DrugBank 1 0.54

DB03178 Guanosine-Nc1nc(=O)c2ncn(C3OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.53

DB03699 Succinyl- CC(C)(COP(=O)(O)OP(=O) [#6]1-[#8]-[P00533 DrugBank 1 0.53

DB04524 Malonyl-C CC(C)(COP(=O)(O)OP(=O) [#6]1-[#8]-[P00533 DrugBank 1 0.53

DB04954 TecadenosOCC1OC(n2cnc3c(NC4CCOC
[#6]1-[#8]-[P00533 DrugBank 1 0.53

DB11933 Riboprine CC(C)=CCNc1ncnc2c1ncn2[#6]1-[#8]-[P00533 DrugBank 1 0.53

DB12691 UK-432097CCNC(=O)C1OC(n2cnc3c(NC
[#6]1-[#8]-[P00533 DrugBank 1 0.53

DB01842 3'-PhosphaNc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.52

DB01860 CordycepinNc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.52

DB02103 2-Chlorodi Nc1nc(Cl)nc2c1ncn2C1CCC[#6]1-[#8]-[P00533 DrugBank 1 0.52

DB02189 2',3'-Dide Nc1ncnc2c1ncn2C1CCC(COP

[#6]1-[#8]-[P00533 DrugBank 1 0.52

DB02355 Adenosine-Nc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.52
DB02930 Adenosine Nc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.52

DB04395 Phosphoami
Nc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.52

DB04418 AdenylosucO=C(O)CC(Nc1ncnc2c1ncn [#6]1-[#8]-[P00533 DrugBank 1 0.52

DB00171 ATP Nc1ncnc2c1ncn2C1OC(COP(

[#6]1-[#8]-[P00533 DrugBank 1 0.51

DB02363 2'-MonophoNc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.51

DB02596 alpha,beta Nc1ncnc2c1ncn2C1OC(COP(

[#6]1-[#8]-[P00533 DrugBank 1 0.51

DB02684 5'-O-(L-Cy Nc1ncnc2c1ncn2C1OC(COS[#6]1-[#8]-[P00533 DrugBank 1 0.51

DB02738 Adenosine-Nc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.51

DB03148 Adenosine Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.51

DB03315 GuanosineNc1nc2c(ncn2C2OC(CO)C(O
[#6]1-[#8]-[P00533 DrugBank 1 0.51

DB03869 5'-O-(L-Se Nc1ncnc2c1ncn2C1OC(COS[#6]1-[#8]-[P00533 DrugBank 1 0.51

DB04366 3'-Deoxy 3Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.51

DB01972 GuanosineNc1nc2c(ncn2C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.5

DB03222 dATP Nc1ncnc2c1ncn2C1CC(O)C([#6]1-[#8]-[P00533 DrugBank 1 0.5

DB03755 Adenosine-Nc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.5

DB03909 Adenosine-Nc1ncnc2c1ncn2C1OC(COP(
[#6]1-[#8]-[P00533 DrugBank 1 0.5

DB04457 2'-DeoxyguNc1nc(=O)c2ncn(C3CC(O)C[#6]1-[#8]-[P00533 DrugBank 1 0.5

DB04757 GUANOSIN
Nc1nc(=O)c2ncn(C3OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.5
DB05009 ApadenosoCCNC(=O)C1OC(n2cnc3c(N[#6]1-[#8]-[P00533 DrugBank 1 0.5

DB16325 SelodenosCCNC(=O)C1OC(n2cnc3c(N[#6]1-[#8]-[P00533 DrugBank 1 0.5

DB01895 Aspartyl-A Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.49

DB01975 AMPCPR Nc1ncnc2c1ncn2C1OC(COP[#6]1-[#8]-[P00533 DrugBank 1 0.49

DB02323 EM-1745 CC12CCC3c4ccc(O)cc4CC [#6]1-[#8]-[P00533 DrugBank 1 0.49

DB03593 7-methyl-5'C[n+]1cn(C2OC(COP(=O)(O)[#6]1-[#8]-[P00533 DrugBank 1 0.49

DB04201 Histidyl-A Nc1ncnc2c1ncn2C1OC(COP(

[#6]1-[#8]-[P00533 DrugBank 1 0.49

DB01864 5'-GuanosiNc1nc2c(ncn2C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.48

DB02023 8-oxo-dGMNc1nc2c([nH]c(=O)n2C2CC([#6]1-[#8]-[P00533 DrugBank 1 0.48

DB03486 Phosphomet
Nc1nc2c(ncn2C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.48

DB03532 Phosphomet
Nc1nc(=O)c2ncn(C3OC(COP
[#6]1-[#8]-[P00533 DrugBank 1 0.48

DB03725 5'-GuanylyNc1nc2c(ncn2C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.48

DB04022 GuanosineNc1nc2c(ncn2C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.48

DB04121 Guanosine-Nc1nc(=O)c2ncn(C3OC(COP
[#6]1-[#8]-[P00533 DrugBank 1 0.48

DB01937 GuanosineNc1nc2c(ncn2C2OC(CO)C(O
[#6]1-[#8]-[P00533 DrugBank 1 0.47

DB02082 Phosphoami
Nc1nc2c(ncn2C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.47

DB02523 2-aminooxye
C[S+](CCON)CC1OC(n2cnc3
[#6]1-[#8]-[P00533 DrugBank 1 0.47

DB02623 Aminophosp
Nc1nc(=O)c2ncn(C3OC(COP
[#6]1-[#8]-[P00533 DrugBank 1 0.47
DB02716 7-methyl-gC[n+]1cn(C2OC(COP(=O)(O)[#6]1-[#8]-[P00533 DrugBank 1 0.47

DB02836 GuanosineNc1nc(=O)c2ncn(C3OC(COP
[#6]1-[#8]-[P00533 DrugBank 1 0.47

DB03907 N-[(E)-3-[( Nc1ncnc2c1ncn2C1OC(C=CC

[#6]1-[#8]-[P00533 DrugBank 1 0.47

DB04137 Guanosine-Nc1nc2c(ncn2C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.47

DB04315 Guanosine-Nc1nc2c(ncn2C2OC(COP(=O
[#6]1-[#8]-[P00533 DrugBank 1 0.47

DB12295 EvodenosoCOC(=O)N1CCC(CC#Cc2nc(
[#6]1-[#8]-[P00533 DrugBank 1 0.47

DB02181 2'-DeoxyguNc1nc2c(ncn2C2CC(O)C(CO[#6]1-[#8]-[P00533 DrugBank 1 0.46

DB02844 S-AdenosylNCC=C(CCCCCN)SCC1OC(n2
[#6]1-[#8]-[P00533 DrugBank 1 0.46

DB03491 2'-DeoxyguNc1nc2c(ncn2C2CC(O)C(CO[#6]1-[#8]-[P00533 DrugBank 1 0.46

DB04566 Inosinic AcO=c1[nH]cnc2c1ncn2C1OC([#6]1-[#8]-[P00533 DrugBank 1 0.46

DB07045 (2R,3R,4S,5
Nc1ncnc2c1nc(NCc1ccc(Cl) [#6]1-[#8]-[P00533 DrugBank 1 0.46

DB15653 Islatravir C#CC1(CO)OC(n2cnc3c(N)n[#6]1-[#8]-[P00533 DrugBank 1 0.45

DB02916 [(2r,3s,4r, Nc1ncnc2c1ncn2C1OC(COS[#6]1-[#8]-[P00533 DrugBank 1 0.44

DB03376 5'-O-(N-(AlCC(N)C(=O)NS(=O)(=O)OCC
[#6]1-[#8]-[P00533 DrugBank 1 0.43

DB07413 5'-S-[2-(de CCCCCCCCCCNCCSCC1OC(n

[#6]1-[#8]-[P00533 DrugBank 1 0.43

DB12920 PinometostCC(C)N(CC1OC(n2cnc3c(N)[#6]1-[#8]-[P00533 DrugBank 1 0.43

DB02309 5-monophos
O=c1[nH]c(=O)c2[nH]c[n+] [#6]1-[#8]-[P00533 DrugBank 1 0.42

DB03732 Etheno-NaO=P(O)(O)OC1C(O)C(COP([#6]1-[#8]-[P00533 DrugBank 1 0.42

DB00242 Cladribine Nc1nc(Cl)nc2c1ncn2C1CC( [#6]1-[#8]-[P00533 DrugBank 1 0.41

DB02947 2-Fluoro-2 Nc1nc(F)nc2c1ncn2C1CC(O[#6]1-[#8]-[P00533 DrugBank 1 0.41

DB03355 5'-O-(L-Th CC(O)C(N)C(=O)NS(=O)(=O[#6]1-[#8]-[P00533 DrugBank 1 0.41

DB03726 Purine Rib O=P(O)(O)OCC1OC(n2cnc3[#6]1-[#8]-[P00533 DrugBank 1 0.41

DB01073 FludarabinNc1nc(F)nc2c1ncn2C1OC( [#6]1-[#8]-[P00533 DrugBank 1 0.4

DB04441 2-FluoroadNc1nc(F)nc2c1ncn2C1OC( [#6]1-[#8]-[P00533 DrugBank 1 0.4

DB07052 5'-S-ethyl- CCSCC1OC(n2cnc3c(N)ncn[#6]1-[#8]-[P00533 DrugBank 1 0.4

DB01755 N-[IsoleuciCCC(C)C(N)C(=O)NS(=O)(=[#6]1-[#8]-[P00533 DrugBank 1 0.39

DB03458 N(4)-AdenoCN(CCC(N)C(=O)O)CC1OC(n
[#6]1-[#8]-[P00533 DrugBank 1 0.39
DB03510 6-O-Phosph
O=P(O)(O)OCC1OC(n2cnc3c
[#6]1-[#8]-[P00533 DrugBank 1 0.39

DB07170 5'-FLUORONc1ncnc2c1ncn2C1CC(O)C[#6]1-[#8]-[P00533 DrugBank 1 0.39

DB08437 PuromycinCOc1ccc(CC(N)C(=O)NC2C([#6]1-[#8]-[P00533 DrugBank 1 0.39

DB16075 8-ChloroadNc1ncnc2c1nc(Cl)n2C1OC( [#6]1-[#8]-[P00533 DrugBank 1 0.39

DB01910 SinefunginNc1ncnc2c1ncn2C1OC(CC([#6]1-[#8]-[P00533 DrugBank 1 0.38

DB02282 5'-S-methylCSCC1OC(n2cnc3c(N)ncnc [#6]1-[#8]-[P00533 DrugBank 1 0.38

DB00631 Clofarabin Nc1nc(Cl)nc2c1ncn2C1OC( [#6]1-[#8]-[P00533 DrugBank 1 0.37

DB03716 5'-Fluoro- Nc1ncnc2c1ncn2C1OC(CF) [#6]1-[#8]-[P00533 DrugBank 1 0.37

DB04853 BinodenosNc1nc(NN=CC2CCCCC2)nc[#6]1-[#8]-[P00533 DrugBank 1 0.37

DB00118 AdemetioniC[S+](CCC(N)C(=O)O)CC1O[#6]1-[#8]-[P00533 DrugBank 1 0.36

DB01752 S-adenosylNc1ncnc2c1ncn2C1OC(CSC[#6]1-[#8]-[P00533 DrugBank 1 0.36

DB03719 N-Ethyl-5' CCNC(=O)C1OC(n2cnc3c(N[#6]1-[#8]-[P00533 DrugBank 1 0.33

DB03273 3'-Oxo-AdeNc1ncnc2c1ncn2C1OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.32

DB05973 Inosine 5'- O=c1[nH]cnc2c1ncn2C1OC([#6]1-[#8]-[P00533 DrugBank 1 0.32

DB12156 CordycepinNc1ncnc2c1ncn2C1OC(CO [#6]1-[#8]-[P00533 DrugBank 1 0.32

DB04024 Serine-3'- Nc1ncnc2c1ncn2C1OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.3

DB00900 DidanosineO=c1nc[nH]c2c1ncn2C1CC [#6]1-[#8]-[P00533 DrugBank 1 0.29

DB03609 3'-deoxyguNc1nc(=O)c2ncn(C3OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.29

DB03735 9-(2-DeoxyCc1ncnc2c1ncn2C1CC(O)C[#6]1-[#8]-[P00533 DrugBank 1 0.29

DB02934 9-(6-deoxy-Cc1ncnc2c1ncn2C1OC(C(C[#6]1-[#8]-[P00533 DrugBank 1 0.28

DB03952 9-(6-deoxy-Cc1ncnc2c1ncn2C1OC(C(C[#6]1-[#8]-[P00533 DrugBank 1 0.28

DB04102 2-Amino-ANc1ncnc2c1ncn2C1OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.28

DB00194 VidarabineNc1ncnc2c1ncn2C1OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.27

DB00640 AdenosineNc1ncnc2c1ncn2C1OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.27

DB03528 9-Beta-D-XNc1ncnc2c1ncn2C1OC(CO)[#6]1-[#8]-[P00533 DrugBank 1 0.27

DB02380 DeoxyinosiO=c1[nH]cnc2c1ncn2C1CC([#6]1-[#8]-[P00533 DrugBank 1 0.25

DB03493 7-MethylguCn1c[n+](C2OC(CO)C(O)C2O
[#6]1-[#8]-[P00533 DrugBank 1 0.25
DB02502 8-hydroxy-Nc1nc2c(nc(O)n2C2CC(O)C([#6]1-[#8]-[P00533 DrugBank 1 0.24

DB01280 NelarabineCOc1nc(N)nc2c1ncn2C1OC[#6]1-[#8]-[P00533 DrugBank 1 0.23

DB02857 GuanosineNc1nc2c(ncn2C2OC(CO)C(O
[#6]1-[#8]-[P00533 DrugBank 1 0.23

DB04335 Inosine O=c1nc[nH]c2c1ncn2C1OC [#6]1-[#8]-[P00533 DrugBank 1 0.22

DB04440 NebularineOCC1OC(n2cnc3cncnc32)C[#6]1-[#8]-[P00533 DrugBank 1 0.22

DB13156 Inosine pr O=c1[nH]cnc2c1ncn2C1OC [#6]1-[#8]-[P00533 DrugBank 1 0.22

DB02896 MethylthioiCSc1ncnc2c1ncn2C1OC(CO[#6]1-[#8]-[P00533 DrugBank 1 0.21

DB06213 RegadenosCNC(=O)c1cnn(-c2nc(N)c3 [#6]1-[#8]-[P00533 DrugBank 1 0.2

DB12352 Bizelesin Cc1c[nH]c2c(O)cc3c(c12)C( [#6]1:[#6](-P00533 DrugBank 1 0.28

DB03744 Cp403700,O=C(NC(Cc1ccccc1)C(=O)N1
[#6]1:[#6](-P00533 DrugBank 1 0.16

DB03383 CP-320626O=C(NC(Cc1ccc(F)cc1)C(=O[#6]1:[#6](-P00533 DrugBank 1 0.1

DB12808 TrifaroteneCC(C)(C)c1cc(-c2cc(-c3cc [#6]1:[#6]:[P00533 DrugBank 1 0.18

DB07426 [1-HYDROX
O=P(O)(O)C(O)(COc1cccc(-c[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB07404 BPH-608 O=P(O)(O)C(O)(Cc1cccc(-c2[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB03083 IC261 COc1cc(OC)c(C=C2C(=O)Nc[#6]1:[#6]:[P00533 DrugBank 1 0.02

DB16185 HQP1351 Cc1ccc(C(=O)Nc2ccc(CN3CC

[#6]1:[#6]:[P00533 DrugBank 1 0.84

DB08901 Ponatinib Cc1ccc(C(=O)Nc2ccc(CN3CC

[#6]1:[#6]:[P00533 DrugBank 1 0.83

DB15396 PF-114 Cc1ccc(C(=O)Nc2ccc(CN3CC

[#6]1:[#6]:[P00533 DrugBank 1 0.83
DB01411 PranlukastO=C(Nc1cccc2c(=O)cc(-c3n[#6]1:[#6]:[P00533 DrugBank 1 0.68

DB12524 BI-671800 CN(C)c1nc(Cc2ccc(NC(=O)c3

[#6]1:[#6]:[P00533 DrugBank 1 0.61

DB08221 N-{4-METHCc1ccc(NC(=O)c2cccc(C(F)([#6]1:[#6]:[P00533 DrugBank 1 0.52

DB12120 Avoralstat C=Cc1cc(C(=O)Nc2ccc(C(= [#6]1:[#6]:[P00533 DrugBank 1 0.5

DB16035 BFH772 O=C(Nc1cccc(C(F)(F)F)c1)c[#6]1:[#6]:[P00533 DrugBank 1 0.5

DB07800 N-(2-(((5 O=C(Nc1ccccc1S(=O)(=O)Nc1

[#6]1:[#6]:[P00533 DrugBank 1 0.49

DB08730 3-FLUORO-
O=C(Nc1ccc2ccn(CCc3ccncc
[#6]1:[#6]:[P00533 DrugBank 1 0.47

DB13878 PibrentasviCOC(=O)NC(C(=O)N1CCCC1c
[#6]1:[#6]:[P00533 DrugBank 1 0.47

DB00524 Metolazon Cc1ccccc1N1C(=O)c2cc(S(N[#6]1:[#6]:[P00533 DrugBank 1 0.46

DB13708 Fenquizon NS(=O)(=O)c1cc2c(cc1Cl)N [#6]1:[#6]:[P00533 DrugBank 1 0.45

DB03082 6-[(Z)-Ami N=C(N)c1ccc2cc(C(=O)Nc3c[#6]1:[#6]:[P00533 DrugBank 1 0.43

DB08099 6-ethyl-5-[ CCc1nc(N)nc(N)c1-c1ccc2c [#6]1:[#6]:[P00533 DrugBank 1 0.43

DB08147 4-[3-(dibenO=C(O)C(=O)CC(=O)c1cccc([#6]1:[#6]:[P00533 DrugBank 1 0.4

DB11851 Bafetinib Cc1ccc(NC(=O)c2ccc(CN3CC

[#6]1:[#6]:[P00533 DrugBank 1 0.39

DB02705 6-[N-(1-Is CC(C)C1NCCc2ccc(NC(=O)c3

[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB04868 Nilotinib Cc1cn(-c2cc(NC(=O)c3ccc(C)

[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB04881 Elacridar COc1cc2c(cc1OC)CN(CCc1cc

[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB12323 Radotinib Cc1cn(-c2cc(NC(=O)c3ccc(C)

[#6]1:[#6]:[P00533 DrugBank 1 0.37
DB12364 BetrixabanCOc1ccc(NC(=O)c2ccc(C(=N)
[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB07244 5-{4-[(3, CCc1nc(N)nc(N)c1-c1ccc(NC[#6]1:[#6]:[P00533 DrugBank 1 0.36

DB01977 6-(N-PhenyN=C(N)c1ccc2cc(C(=O)Nc3c[#6]1:[#6]:[P00533 DrugBank 1 0.35

DB06240 Tariquidar COc1cc2c(cc1OC)CN(CCc1c[#6]1:[#6]:[P00533 DrugBank 1 0.35

DB08402 2-[(2,4-D O=C(Nc1ccc(Oc2ncccn2)cc1[#6]1:[#6]:[P00533 DrugBank 1 0.35

DB02473 6-[N-(1-Is CC(C)C1=NCCc2ccc(NC(=O)c

[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB07076 6-[(Z)-AM N=C(N)c1ccc2cc(C(=O)Nc3 [#6]1:[#6]:[P00533 DrugBank 1 0.34

DB11526 Masitinib Cc1ccc(NC(=O)c2ccc(CN3CC

[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB12854 BMS-9086COC(=O)Nc1nc2cc(C3(O)c4c
[#6]1:[#6]:[P00533 DrugBank 1 0.33
DB02398 6-[N-(4-(A N=C(N)c1ccc2cc(C(=O)Nc3c[#6]1:[#6]:[P00533 DrugBank 1 0.32

DB04600 4-[(3-BRO N#Cc1ccc(N(Cc2ccc(OS(N)(=

[#6]1:[#6]:[P00533 DrugBank 1 0.32

DB07212 N-(7-CAR Cc1c(O)cccc1C(=O)Nc1cccc[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB08011 (3E)-5-fluoO=C1C(=NO)c2cc(F)ccc2N1[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB12070 LetermovirCOc1cccc(N2CCN(C3=Nc4c(
[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB02551 6-[N-(4-Et CCC1CNCc2ccc(NC(=O)c3cc

[#6]1:[#6]:[P00533 DrugBank 1 0.3

DB08010 (3Z)-1-[(6- O=C1C(=NO)c2c(C=Cc3cccc[#6]1:[#6]:[P00533 DrugBank 1 0.3

DB08091 3-FLUORO-
O=C(Nc1ccc2[nH]cc(CCc3cc[#6]1:[#6]:[P00533 DrugBank 1 0.3

DB04601 4-[(4-O-S N#Cc1ccc(N(Cc2ccc(OS(N)([#6]1:[#6]:[P00533 DrugBank 1 0.29

DB07074 6-CARBAMCOC(=O)c1cc(NC(=O)c2cccc
[#6]1:[#6]:[P00533 DrugBank 1 0.29

DB08015 (3Z)-1-[(6- O=C1C(=NO)c2c(-c3ccccc3 [#6]1:[#6]:[P00533 DrugBank 1 0.28

DB12805 Ataciguat O=C(Nc1ccc(S(=O)(=O)N2CC

[#6]1:[#6]:[P00533 DrugBank 1 0.28

DB05838 OPC-5180CC(C)NC(=O)CC1CCCN(C(=O
[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB08092 3-fluoro-N-O=C(Nc1ccc2[nH]ccc2c1)c1[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB00619 Imatinib Cc1ccc(NC(=O)c2ccc(CN3CC

[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB04739 4-[(4-MET CN1CCN(Cc2ccc(C(=O)Nc3cc

[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB06857 N-(4-CAR Cc1cc(I)c(O)c(C(=O)Nc2ccc([#6]1:[#6]:[P00533 DrugBank 1 0.26

DB11734 FedovapagCc1cc(C(=O)N2CCCCc3ccc[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB00872 ConivaptanCc1nc2c([nH]1)CCN(C(=O)c1
[#6]1:[#6]:[P00533 DrugBank 1 0.25

DB05495 PG-530742COc1ccc(C(=O)Nc2ccc(S(= [#6]1:[#6]:[P00533 DrugBank 1 0.25

DB07022 3-HydroxypN=C(N)c1ccc2cccc(NC(=O)c[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB09181 TrefentanilCCC(=O)N(c1ccccc1F)C1(c [#6]1:[#6]:[P00533 DrugBank 1 0.24

DB11183 Light greenCCN(Cc1cccc(S(=O)(=O)O)c[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB11830 MocetinostNc1ccccc1NC(=O)c1ccc(CNc
[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB05653 IRX-5183 CC1(C)CCC(C)(C)c2c1cc(C(=

[#6]1:[#6]:[P00533 DrugBank 1 0.23

DB07831 2-{[(6-OX CCCc1ccc(NC(=O)c2ccccc2N

[#6]1:[#6]:[P00533 DrugBank 1 0.23

DB15029 AZD-8186 CC(Nc1cc(F)cc(F)c1)c1cc( [#6]1:[#6]:[P00533 DrugBank 1 0.23

DB15594 Brilliant bl CCOc1ccc(Nc2ccc(C(=C3C=C
[#6]1:[#6]:[P00533 DrugBank 1 0.23

DB04590 (2R)-({4- CCOc1cc(OC2CCOC2)c(F)c([#6]1:[#6]:[P00533 DrugBank 1 0.22

DB04786 Suramin Cc1ccc(C(=O)Nc2ccc(S(=O)[#6]1:[#6]:[P00533 DrugBank 1 0.22

DB13500 Otilonium CCCCCCCCOc1ccccc1C(=O)

[#6]1:[#6]:[P00533 DrugBank 1 0.22

DB00751 Epinastine NC1=NCC2c3ccccc3Cc3ccc[#6]1:[#6]:[P00533 DrugBank 1 0.21

DB06374 ElacestrantCCNCCc1ccc(CN(CC)c2cc(O
[#6]1:[#6]:[P00533 DrugBank 1 0.21

DB06666 Lixivaptan Cc1ccc(F)cc1C(=O)Nc1ccc( [#6]1:[#6]:[P00533 DrugBank 1 0.21

DB07729 3-fluoro-N-O=C(Nc1cccc(-c2nnn[nH]2)c[#6]1:[#6]:[P00533 DrugBank 1 0.21

DB05678 SLx-4090 COc1cccc(C(=O)Nc2ccc3c(c[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB07691 2-({[3-(3,4 O=C(Nc1ccccc1C(=O)O)c1c[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB08799 Antazoline c1ccc(CN(CC2=NCCN2)c2cc[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB11399 DirlotapideCN(Cc1ccccc1)C(=O)C(NC(=O
[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB11841 Entinostat Nc1ccccc1NC(=O)c1ccc(CN[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB12724 AZD-7295 CCCS(=O)(=O)N1CCN(Cc2ccc

[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB01630 SC-74020 CCCCCc1ccc(C(=O)Nc2ccc([#6]1:[#6]:[P00533 DrugBank 1 0.19

DB05993 PRX-07034COc1cc(Cl)cc(C(C)Nc2cc( [#6]1:[#6]:[P00533 DrugBank 1 0.19

DB06212 Tolvaptan Cc1ccccc1C(=O)Nc1ccc(C(=[#6]1:[#6]:[P00533 DrugBank 1 0.19

DB07586 5-(4-MET Cc1ccc(C(=O)Nc2cc(C(=O)N(

[#6]1:[#6]:[P00533 DrugBank 1 0.19
DB07626 4-(2-aminoe
CCOc1c(Cl)cc(N2CCCCC2)c[#6]1:[#6]:[P00533 DrugBank 1 0.19

DB14720 BrovanexinCOc1cc(C(=O)Nc2c(Br)cc( [#6]1:[#6]:[P00533 DrugBank 1 0.19

DB07289 5-[3-(BE O=C(O)COc1c(C(=O)O)sc(-c[#6]1:[#6]:[P00533 DrugBank 1 0.17

DB08240 N-(4-CHL O=C(Nc1ccc(Cl)cc1)c1cc2c [#6]1:[#6]:[P00533 DrugBank 1 0.17

DB08701 2-(3-BROMO=C1c2cccc3c(NCCO)ccc(c2
[#6]1:[#6]:[P00533 DrugBank 1 0.17

DB12289 DarexabanCOc1ccc(C(=O)Nc2cccc(O) [#6]1:[#6]:[P00533 DrugBank 1 0.17

DB02545 FexaraminCOC(=O)C=Cc1cccc(N(Cc2cc
[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB08072 4-(2-AMI CC(C)Oc1cccc(NC(=O)c2cc(C

[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB09235 EfonidipineCC1=C(C(=O)OCCN(Cc2ccccc
[#6]1:[#6]:[P00533 DrugBank 1 0.16
DB06148 Mianserin CN1CCN2c3ccccc3Cc3cccc[#6]1:[#6]:[P00533 DrugBank 1 0.14

DB08747 (11R)-10-ac
CC(=O)N1c2cccc(O)c2NC2=C
[#6]1:[#6]:[P00533 DrugBank 1 0.14

DB15418 AZD-9977 CNC(=O)CC1COc2cc(F)ccc2[#6]1:[#6]:[P00533 DrugBank 1 0.14

DB07288 N-(4-chloroO=C(Nc1ccc(Cl)cc1)c1cccc [#6]1:[#6]:[P00533 DrugBank 1 0.13

DB07429 2-({[4-bromCCN(CC)S(=O)(=O)c1cc(C(=[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB08697 4-(2-aminoe
Cc1cc(C(=O)Nc2cc(Cl)cc( [#6]1:[#6]:[P00533 DrugBank 1 0.13

DB08828 Vismodegi CS(=O)(=O)c1ccc(C(=O)Nc2cc

[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB12420 DiazepinomCC(C)=CCCC(C)=CCCC(C)=C
[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB12934 GranotapidCCOC(=O)C(COC(=O)Cc1ccc(
[#6]1:[#6]:[P00533 DrugBank 1 0.13
DB13225 DibenzepinCN(C)CCN1C(=O)c2ccccc2N[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB16182 CXD101 Cc1nn(C)cc1CN1CCC(c2ccc[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB00973 Ezetimibe O=C1C(CCC(O)c2ccc(F)cc2)[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB01228 Encainide COc1ccc(C(=O)Nc2ccccc2 [#6]1:[#6]:[P00533 DrugBank 1 0.12

DB04471 2-Phenyl-1-Oc1ccc2c(c1)CCN(c1ccccc [#6]1:[#6]:[P00533 DrugBank 1 0.12

DB06334 TucidinostaNc1cc(F)ccc1NC(=O)c1ccc( [#6]1:[#6]:[P00533 DrugBank 1 0.12

DB07625 4-(2-aminoCCOc1ccc(OCC)c(NC(=O)c2[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB09296 OmbitasvirCOC(=O)NC(C(=O)N1CCCC1C
[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB13489 Bamipine CN1CCC(N(Cc2ccccc2)c2cc[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB04942 Tamibarot CC1(C)CCC(C)(C)c2cc(NC(=[#6]1:[#6]:[P00533 DrugBank 1 0.11

DB12545 Indobufen CCC(C(=O)O)c1ccc(N2Cc3c[#6]1:[#6]:[P00533 DrugBank 1 0.11

DB13248 PhthalylsulO=C(O)c1ccccc1C(=O)Nc1cc
[#6]1:[#6]:[P00533 DrugBank 1 0.11

DB03802 1-[4-(OctahOc1ccc2c(c1)CCN(c1ccccc [#6]1:[#6]:[P00533 DrugBank 1 0.1

DB04953 EzogabineCCOC(=O)Nc1ccc(NCc2ccc([#6]1:[#6]:[P00533 DrugBank 1 0.1

DB07260 N-benzyl-4-c1ccc(CNc2ccc(OCC3CCCN3
[#6]1:[#6]:[P00533 DrugBank 1 0.1

DB07970 5-[(2-methyCc1ccc(C(=O)Nc2cccc(C(F)([#6]1:[#6]:[P00533 DrugBank 1 0.1

DB08968 FominobenCN(CC(=O)N1CCOCC1)Cc1c(
[#6]1:[#6]:[P00533 DrugBank 1 0.1

DB16145 Dotinurad O=C(c1cc(Cl)c(O)c(Cl)c1)N [#6]1:[#6]:[P00533 DrugBank 1 0.1

DB07327 R-95845 CC(=O)c1ccc(C)cc1NC(C(N)[#6]1:[#6]:[P00533 DrugBank 1 0.09

DB08236 (2S)-2-(3-bO=C1CSC(c2cccc(Br)c2)N1c[#6]1:[#6]:[P00533 DrugBank 1 0.09

DB09168 4-PhenylfeCCC(=O)N(c1ccccc1)C1(c2 [#6]1:[#6]:[P00533 DrugBank 1 0.09

DB03944 5-[1-(3,4-DCOc1ccc(C(=O)N2CCCc3cc[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB08951 IndoprofenCC(C(=O)O)c1ccc(N2Cc3cc[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB09079 NintedanibCOC(=O)c1ccc2c(c1)NC(=O[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB13428 IobenzamicNc1c(I)cc(I)c(C(=O)N(CCC(=[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB07332 ALPHA-(2 CC(=O)c1ccc(C)cc1NC(C(N)=

[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB07833 N-(3-cyanop
Cc1nnc(-c2ccc(C)c(-c3ccc( [#6]1:[#6]:[P00533 DrugBank 1 0.07
DB13479 Histapyrrodc1ccc(CN(CCN2CCCC2)c2cc
[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB14969 GTX-758 O=C(c1ccc(O)c(F)c1)N(c1cc[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB13803 Xipamide Cc1cccc(C)c1NC(=O)c1cc(S[#6]1:[#6]:[P00533 DrugBank 1 0.06

DB01244 Bepridil CC(C)COCC(CN(Cc1ccccc1[#6]1:[#6]:[P00533 DrugBank 1 0.05

DB16124 ChiauranibCOc1ccc2c(Oc3ccc4c(C(=O)[#6]1:[#6]:[P00533 DrugBank 1 0.05

DB16142 AcetyldinalNc1ccc(C(=O)Nc2ccccc2N)c[#6]1:[#6]:[P00533 DrugBank 1 0.05

DB03067 4-{2,4-Bis[ O=C(Nc1ccc(Oc2ccc(C(=O)O)

[#6]1:[#6]:[P00533 DrugBank 1 0.04

DB07476 N-[4-(AM NS(=O)(=O)c1ccc(NC(=O)c2[#6]1:[#6]:[P00533 DrugBank 1 0.04

DB07507 2-(4-hydroxCc1cccc2c1C(=O)N(c1cc(-c [#6]1:[#6]:[P00533 DrugBank 1 0.04

DB07971 5-AMINO-2Nc1ccc(Sc2ccc(N3C(=O)c4c[#6]1:[#6]:[P00533 DrugBank 1 0.04

DB12414 Usistapide COC(=O)C(c1ccccc1)N1CCC(

[#6]1:[#6]:[P00533 DrugBank 1 0.04

DB04044 4-{2-[(3-N O=C(Nc1ccccc1Oc1ccc(C(=O)

[#6]1:[#6]:[P00533 DrugBank 1 0.03

DB12291 Tacedinali CC(=O)Nc1ccc(C(=O)Nc2ccc[#6]1:[#6]:[P00533 DrugBank 1 0.03

DB07511 4-(4-methylCc1cccc2c1C(=O)N(c1ccc( [#6]1:[#6]:[P00533 DrugBank 1 0.02

DB13696 Bromochloro
O=C(Nc1ccc(Cl)cc1)c1cc(Br[#6]1:[#6]:[P00533 DrugBank 1 0.02

DB06803 NiclosamidO=C(Nc1ccc([N+](=O)[O-])cc[#6]1:[#6]:[P00533 DrugBank 1 0.01

DB07694 2,5-dichlo O=C(Nc1cc(Br)c(O)c(Br)c1)c[#6]1:[#6]:[P00533 DrugBank 1 0.01

DB07863 2-chloro-5 O=C(Nc1ccccc1)c1cc([N+](=O

[#6]1:[#6]:[P00533 DrugBank 1 0.01
DB16273 Osalmid O=C(Nc1ccc(O)cc1)c1ccccc[#6]1:[#6]:[P00533 DrugBank 1 0.01

DB07693 N-(3,5-dib Cc1cccc(C)c1C(=O)Nc1cc(Br[#6]1:[#6]:[P00533 DrugBank 1 0

DB07695 N-(3,5-dib Cc1cc(C(=O)Nc2cc(Br)c(O)c[#6]1:[#6]:[P00533 DrugBank 1 0

DB08104 N-(3,5-dib O=C(Nc1cc(Br)c(O)c(Br)c1) [#6]1:[#6]:[P00533 DrugBank 1 0

DB14728 Mebenil Cc1ccccc1C(=O)Nc1ccccc1 [#6]1:[#6]:[P00533 DrugBank 1 0

DB11891 CUDC-907COc1ccc(-c2nc(N3CCOCC3)c
[#6]1:[#6]:[P00533 DrugBank 1 0.87

DB08780 6-MORPHO
c1nc(N2CCOCC2)c2nc[nH]c[#6]1:[#6]:[P00533 DrugBank 1 0.72

DB11663 Pictilisib CS(=O)(=O)N1CCN(Cc2cc3n[#6]1:[#6]:[P00533 DrugBank 1 0.69

DB11925 Vistusertib CNC(=O)c1cccc(-c2ccc3c( [#6]1:[#6]:[P00533 DrugBank 1 0.66

DB14917 CeralasertiCC1COCCN1c1cc(C2(S(C)(=N
[#6]1:[#6]:[P00533 DrugBank 1 0.64

DB14980 AZD-6482 Cc1cc(C(C)Nc2ccccc2C(=O [#6]1:[#6]:[P00533 DrugBank 1 0.61

DB13072 GDC-0349CCNC(=O)Nc1ccc(-c2nc3c [#6]1:[#6]:[P00533 DrugBank 1 0.57

DB16733 RimtuzalcaCc1ccn(-c2nc(NC3CCC(F)( [#6]1:[#6]:[P00533 DrugBank 1 0.51

DB12180 Apitolisib Cc1c(CN2CCN(C(=O)C(C)O)[#6]1:[#6]:[P00533 DrugBank 1 0.48

DB11666 Buparlisib Nc1cc(C(F)(F)F)c(-c2cc(N [#6]1:[#6]:[P00533 DrugBank 1 0.45

DB15186 GDC-0084CC1(C)OCCn2c1nc1c(N3CCO
[#6]1:[#6]:[P00533 DrugBank 1 0.42

DB15642 Molidustat O=c1c(-n2ccnn2)c[nH]n1-c [#6]1:[#6]:[P00533 DrugBank 1 0.42

DB12774 AZD-8055 COc1ccc(-c2ccc3c(N4CCO [#6]1:[#6]:[P00533 DrugBank 1 0.41

DB05611 Apilimod Cc1cccc(C=NNc2cc(N3CCOC
[#6]1:[#6]:[P00533 DrugBank 1 0.39

DB05524 Pelitinib CCOc1cc2ncc(C#N)c(Nc3ccc

[#6]1:[#6]:[P00533 DrugBank 1 0.94

DB11828 Neratinib CCOc1cc2ncc(C#N)c(Nc3cc[#6]1:[#6]:[P00533 DrugBank 1 0.92

DB14993 Pyrotinib CCOc1cc2ncc(C#N)c(Nc3cc[#6]1:[#6]:[P00533 DrugBank 1 0.9

DB00613 AmodiaquiCCN(CC)Cc1cc(Nc2ccnc3cc([#6]1:[#6]:[P00533 DrugBank 1 0.71

DB16249 NaphthoquCC(C)(C)NCc1cc(Nc2ccnc3c[#6]1:[#6]:[P00533 DrugBank 1 0.57

DB08963 Glafenine O=C(OCC(O)CO)c1ccccc1Nc

[#6]1:[#6]:[P00533 DrugBank 1 0.55

DB06616 Bosutinib COc1cc(Nc2c(C#N)cnc3cc( [#6]1:[#6]:[P00533 DrugBank 1 0.46

DB01419 Antrafenin O=C(OCCN1CCN(c2cccc(C(F)

[#6]1:[#6]:[P00533 DrugBank 1 0.42
DB08976 FloctafeninO=C(OCC(O)CO)c1ccccc1Nc1
[#6]1:[#6]:[P00533 DrugBank 1 0.4

DB07832 4-{4-[(5-hy Cc1ccc(O)cc1Nc1ccnc2cc(-c[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB12137 GSK-2560 COc1cccc(Nc2c(C(N)=O)cnc3

[#6]1:[#6]:[P00533 DrugBank 1 0.23

DB00276 AmsacrineCOc1cc(NS(C)(=O)=O)ccc1N
[#6]1:[#6]:[P00533 DrugBank 1 0.21

DB07297 5,6-DIPHEc1ccc(-c2oc3ncnc(NCCN4CC
[#6]1:[#6]:[P00533 DrugBank 1 0.78

DB08393 2-[(5,6-D OCCNc1ncnc2oc(-c3ccccc3)c

[#6]1:[#6]:[P00533 DrugBank 1 0.77

DB08392 2-[5,6-BI COc1ccc(-c2oc3ncnc(NCCO)[#6]1:[#6]:[P00533 DrugBank 1 0.76

DB07653 N-(5,6-DI O=C(O)CNc1ncnc2oc(-c3cccc

[#6]1:[#6]:[P00533 DrugBank 1 0.72

DB04727 1-{4-[4-AmiCOc1ccc(-c2oc3ncnc(N)c3c2[#6]1:[#6]:[P00533 DrugBank 1 0.67

DB07654 (5,6-DIPH CN(CCO)c1ncnc2oc(-c3ccccc
[#6]1:[#6]:[P00533 DrugBank 1 0.64

DB02026 Furo[2,3d]PCN(Cc1coc2nc(N)nc(N)c12) [#6]1:[#6]:[P00533 DrugBank 1 0.39

DB00406 Gentian vioCN(C)c1ccc(C(=C2C=CC(=[N

[#6]1:[#6]:[P00533 DrugBank 1 0.53

DB03895 Malachite CN(C)c1ccc(C(=C2C=CC(=[N

[#6]1:[#6]:[P00533 DrugBank 1 0.53

DB11279 Brilliant gr CCN(CC)c1ccc(C(=C2C=CC(

[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB13967 Patent Blu CCN(CC)c1ccc(C(=C2C=CC(=

[#6]1:[#6]:[P00533 DrugBank 1 0.28

DB09136 Isosulfan bCCN(CC)c1ccc(C(=C2C=CC(

[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB12177 EplivanseriCN(C)CCON=C(C=Cc1ccc(O)
[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB07766 (2Z,3E)-2,3O=C1Nc2ccccc2C1=C1Nc2 [#6]1:[#6]:[P00533 DrugBank 1 0.18

DB03444 6-bromoindO=C1Nc2cc(Br)ccc2C1=C1 [#6]1:[#6]:[P00533 DrugBank 1 0.13

DB02052 Indirubin- O=C1Nc2ccccc2C1=C1Nc2c[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB08250 (5S)-5-(3 CCNC(=O)N1N=C(c2cc(F)cc[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB03996 3-[(5s)-1-ACC(=O)N1N=C(c2ccccc2Cl) [#6]1:[#6]:[P00533 DrugBank 1 0

DB09330 OsimertinibC=CC(=O)Nc1cc(Nc2nccc(-c[#6]1:[#6]:[P00533 DrugBank 1 0.98

DB12036 NaquotinibC=CC(=O)N1CCC(Oc2nc(Nc[#6]1:[#6]:[P00533 DrugBank 1 0.94

DB16640 AlmonertinC=CC(=O)Nc1cc(Nc2nccc(-c[#6]1:[#6]:[P00533 DrugBank 1 0.94

DB16390 MobocertinC=CC(=O)Nc1cc(Nc2ncc(C(=
[#6]1:[#6]:[P00533 DrugBank 1 0.93

DB08055 N-(2-chlor Clc1ccccc1Nc1ncc(-c2ccccc[#6]1:[#6]:[P00533 DrugBank 1 0.87

DB15408 SilmitasertiO=C(O)c1ccc2c(c1)nc(Nc1cc[#6]1:[#6]:[P00533 DrugBank 1 0.86

DB14840 Ripretinib CCn1c(=O)c(-c2cc(NC(=O)Nc

[#6]1:[#6]:[P00533 DrugBank 1 0.83

DB06134 SNS-314 O=C(Nc1cccc(Cl)c1)Nc1ncc [#6]1:[#6]:[P00533 DrugBank 1 0.82

DB12744 CGI-1842 COc1ccc(Br)cc1NC(=O)Nc1c[#6]1:[#6]:[P00533 DrugBank 1 0.8

DB11883 SB-705498O=C(Nc1ccccc1Br)NC1CCN(c
[#6]1:[#6]:[P00533 DrugBank 1 0.76

DB11694 Ilorasertib Nc1ncc(-c2cnn(CCO)c2)c2sc[#6]1:[#6]:[P00533 DrugBank 1 0.73

DB15039 ITI-214 CN1C(=O)c2c(nn(Cc3ccc(-c [#6]1:[#6]:[P00533 DrugBank 1 0.73

DB11662 RabusertibCc1cnc(NC(=O)Nc2cc(Br)c [#6]1:[#6]:[P00533 DrugBank 1 0.72

DB12062 Volasertib CCC1C(=O)N(C)c2cnc(Nc3 [#6]1:[#6]:[P00533 DrugBank 1 0.72

DB16107 BI 2536 CCC1C(=O)N(C)c2cnc(Nc3 [#6]1:[#6]:[P00533 DrugBank 1 0.72

DB07360 1-{5-[2-(th O=C(Nc1cccc(C(F)(F)F)c1) [#6]1:[#6]:[P00533 DrugBank 1 0.71

DB08025 N-{2'-[(4 COC1CCC(C(=O)Nc2cc(-c3cc

[#6]1:[#6]:[P00533 DrugBank 1 0.71

DB07362 1-(5-{2-[(1 Cn1ncc2ncnc(NCCc3cnc(NC(

[#6]1:[#6]:[P00533 DrugBank 1 0.7

DB11800 Tivozanib COc1cc2nccc(Oc3ccc(NC(=O

[#6]1:[#6]:[P00533 DrugBank 1 0.7

DB12121 Entospletinc1cn2cc(-c3ccc4cn[nH]c4c [#6]1:[#6]:[P00533 DrugBank 1 0.68

DB15343 HM-43239 Cc1ccc2c(-c3nc(Nc4cc(CN5[#6]1:[#6]:[P00533 DrugBank 1 0.68

DB00398 Sorafenib CNC(=O)c1cc(Oc2ccc(NC(=O)

[#6]1:[#6]:[P00533 DrugBank 1 0.67

DB07228 1-(5-CHL COc1ccc(Cl)cc1NC(=O)Nc1 [#6]1:[#6]:[P00533 DrugBank 1 0.67

DB08056 N-(2,6-dimCc1cccc(C)c1Nc1ncc(-c2ccc[#6]1:[#6]:[P00533 DrugBank 1 0.67

DB08134 4-[(6-chlo NS(=O)(=O)c1ccc(Nc2cncc(C

[#6]1:[#6]:[P00533 DrugBank 1 0.67

DB08896 RegorafeniCNC(=O)c1cc(Oc2ccc(NC(=O)
[#6]1:[#6]:[P00533 DrugBank 1 0.67

DB15498 BOS17272CCOc1cc(-c2nncn2C)ccc1Nc[#6]1:[#6]:[P00533 DrugBank 1 0.65

DB12010 FostamatinCOc1cc(Nc2ncc(F)c(Nc3ccc[#6]1:[#6]:[P00533 DrugBank 1 0.64

DB14889 DerazantinCOCCNCCc1cccc(Nc2ncc3c(n
[#6]1:[#6]:[P00533 DrugBank 1 0.64

DB06997 2-(4-fluoro O=C(Cc1ccc(F)cc1)NC(=O)N[#6]1:[#6]:[P00533 DrugBank 1 0.62

DB08911 TrametinibCC(=O)Nc1cccc(-n2c(=O)n(C
[#6]1:[#6]:[P00533 DrugBank 1 0.62

DB07314 1-(5-CHL COc1cc(OC)c(NC(=O)Nc2cnc

[#6]1:[#6]:[P00533 DrugBank 1 0.61
DB04186 N'-(Pyrroli O=C(Nc1ccccn1)Nc1cccc2 [#6]1:[#6]:[P00533 DrugBank 1 0.6

DB03481 5,10-DimetCC1Nc2nc(N)[nH]c(=O)c2N [#6]1:[#6]:[P00533 DrugBank 1 0.59

DB07936 N-(4-{[(3S)Cc1ncc(-c2nc(Nc3ccc(C(=O [#6]1:[#6]:[P00533 DrugBank 1 0.59

DB08064 N-(3-TERTCC(C)(C)c1cc(NC(=O)Nc2ccc
[#6]1:[#6]:[P00533 DrugBank 1 0.58

DB09295 TalniflumatO=C1OC(OC(=O)c2cccnc2Nc2
[#6]1:[#6]:[P00533 DrugBank 1 0.58

DB06347 Cenisertib Cc1cc(Nc2ncc(F)c(NC3C4C[#6]1:[#6]:[P00533 DrugBank 1 0.56

DB06933 N-(tert-but CC(C)(C)NS(=O)(=O)c1ccc(-[#6]1:[#6]:[P00533 DrugBank 1 0.56

DB08043 1-[4-(PYR O=C(Nc1ccc(Oc2ccncc2)cc1)

[#6]1:[#6]:[P00533 DrugBank 1 0.56

DB11896 GedatolisibCN(C)C1CCN(C(=O)c2ccc(N[#6]1:[#6]:[P00533 DrugBank 1 0.56

DB12376 RicolinostaO=C(CCCCCCNC(=O)c1cnc(N
[#6]1:[#6]:[P00533 DrugBank 1 0.56

DB09285 MorniflumaO=C(OCCN1CCOCC1)c1cccnc
[#6]1:[#6]:[P00533 DrugBank 1 0.55

DB12910 EmicerfontCOc1ccc(N2CCc3c(-n4ccc(N[#6]1:[#6]:[P00533 DrugBank 1 0.55

DB13059 PF-038147CC(=O)NCC(=O)N1C2CCC1c1
[#6]1:[#6]:[P00533 DrugBank 1 0.55

DB15273 VS-4718 CNC(=O)c1ccccc1Nc1cc(Nc[#6]1:[#6]:[P00533 DrugBank 1 0.55

DB00484 BrimonidinBrc1c(NC2=NCCN2)ccc2ncc[#6]1:[#6]:[P00533 DrugBank 1 0.54

DB11772 Pilaralisib COc1ccc(Cl)c(Nc2nc3ccccc [#6]1:[#6]:[P00533 DrugBank 1 0.54

DB13005 RebastinibCNC(=O)c1cc(Oc2ccc(NC(=O
[#6]1:[#6]:[P00533 DrugBank 1 0.54

DB13109 PKI-179 O=C(Nc1ccncc1)Nc1ccc(-c [#6]1:[#6]:[P00533 DrugBank 1 0.54

DB15583 Fluazuron O=C(NC(=O)c1c(F)cccc1F)Nc
[#6]1:[#6]:[P00533 DrugBank 1 0.54

DB16050 FF-10101- CCCNc1nc(Nc2ccc(C#N)cc [#6]1:[#6]:[P00533 DrugBank 1 0.54

DB07311 18-CHLORO
O=C1Nc2cncc(n2)OCCCCCO
[#6]1:[#6]:[P00533 DrugBank 1 0.53

DB11903 GW842166O=C(NCC1CCOCC1)c1cnc(Nc2
[#6]1:[#6]:[P00533 DrugBank 1 0.53

DB11978 Glasdegib CN1CCC(NC(=O)Nc2ccc(C#N

[#6]1:[#6]:[P00533 DrugBank 1 0.53

DB15449 CitarinostaO=C(CCCCCCNC(=O)c1cnc(N
[#6]1:[#6]:[P00533 DrugBank 1 0.53

DB03044 DoramapimCc1ccc(-n2nc(C(C)(C)C)c [#6]1:[#6]:[P00533 DrugBank 1 0.52

DB07817 1-{3-[(4-pyrO=C(Nc1cccc(S(=O)(=O)N2 [#6]1:[#6]:[P00533 DrugBank 1 0.52

DB12746 AKN-028 Nc1ncc(-c2ccncc2)nc1Nc1cc[#6]1:[#6]:[P00533 DrugBank 1 0.51

DB15294 SB-1578 C1=C\COCc2cc(ccc2OCCN2C
[#6]1:[#6]:[P00533 DrugBank 1 0.51

DB16656 ZotiraciclibCN1C/C=C\CCOc2cccc(c2)-c
[#6]1:[#6]:[P00533 DrugBank 1 0.51

DB05984 RAF-265 Cn1c(Nc2ccc(C(F)(F)F)cc2)n[#6]1:[#6]:[P00533 DrugBank 1 0.5

DB11697 Pacritinib C1=C\COCc2cc(ccc2OCCN2C

[#6]1:[#6]:[P00533 DrugBank 1 0.48

DB04869 OlcegepanNCCCCC(NC(=O)C(Cc1cc(Br
[#6]1:[#6]:[P00533 DrugBank 1 0.47

DB07791 4-{[4-(1- CNS(=O)(=O)c1ccc(Nc2nccc[#6]1:[#6]:[P00533 DrugBank 1 0.47

DB09078 Lenvatinib COc1cc2nccc(Oc3ccc(NC(=O

[#6]1:[#6]:[P00533 DrugBank 1 0.47

DB00670 PirenzepinCN1CCN(CC(=O)N2c3ccccc[#6]1:[#6]:[P00533 DrugBank 1 0.46

DB04059 8-(Pyrimid N=C(N)c1ccc2cccc(Nc3nccc[#6]1:[#6]:[P00533 DrugBank 1 0.46

DB06938 4-[[2-[[4-c CNC(=O)c1cc(Oc2ccc3nc(Nc4
[#6]1:[#6]:[P00533 DrugBank 1 0.46

DB01324 PolythiazidCN1C(CSCC(F)(F)F)Nc2cc(C
[#6]1:[#6]:[P00533 DrugBank 1 0.45

DB03916 4-{2-[4-(2- Cc1ccc(Nc2nccc(-c3ccnc(N [#6]1:[#6]:[P00533 DrugBank 1 0.45

DB12958 ProthipendCN(C)CCCN1c2ccccc2Sc2cc[#6]1:[#6]:[P00533 DrugBank 1 0.45

DB06995 N-({4-[(2-a Nc1cc(Oc2ccc(NC(=O)NC(=O

[#6]1:[#6]:[P00533 DrugBank 1 0.44

DB07982 2-{4-[4-({4 Cc1ncc(-c2ccnc(Nc3ccc(N4 [#6]1:[#6]:[P00533 DrugBank 1 0.44

DB07562 N-[4-(2,4 Cc1nc(C)c(-c2ccnc(Nc3ccc( [#6]1:[#6]:[P00533 DrugBank 1 0.43

DB07790 N-(2-METHCOCCNS(=O)(=O)c1ccc(Nc2n
[#6]1:[#6]:[P00533 DrugBank 1 0.43

DB08441 6-BROMO-1
O=S1(=O)NCCCNc2nc(ncc2B
[#6]1:[#6]:[P00533 DrugBank 1 0.43
DB12141 Gilteritinib CCc1nc(C(N)=O)c(Nc2ccc [#6]1:[#6]:[P00533 DrugBank 1 0.43

DB02301 5,10-MethyNc1nc(=O)c2c([nH]1)N=CC [#6]1:[#6]:[P00533 DrugBank 1 0.42

DB07194 2-{2-[(3,5- Cc1cc(C)cc(Nc2nccc(-c3nc( [#6]1:[#6]:[P00533 DrugBank 1 0.42

DB16232 Milciclib M CNC(=O)c1nn(C)c2c1C(C)(C[#6]1:[#6]:[P00533 DrugBank 1 0.42

DB00232 MethyclothCN1C(CCl)Nc2cc(Cl)c(S(N) [#6]1:[#6]:[P00533 DrugBank 1 0.41

DB08802 IsothipendyCC(CN1c2ccccc2Sc2cccnc2[#6]1:[#6]:[P00533 DrugBank 1 0.41

DB11816 OmecamtivCOC(=O)N1CCN(Cc2cccc(NC
[#6]1:[#6]:[P00533 DrugBank 1 0.41

DB12559 EC-17 NC(=O)CCC(C(=O)O)N(CCNC(

[#6]1:[#6]:[P00533 DrugBank 1 0.4

DB14770 Lanrapleni Nc1cncc(-c2cn3ccnc3c(Nc [#6]1:[#6]:[P00533 DrugBank 1 0.4

DB14828 ABX-464 FC(F)(F)Oc1ccc(Nc2ccc3ccc[#6]1:[#6]:[P00533 DrugBank 1 0.4

DB15190 GLPG-025CC(C)N1CC2CC1CN2c1ccc(N
[#6]1:[#6]:[P00533 DrugBank 1 0.4

DB16049 ASLAN003COc1cccc(-c2cc(F)c(Nc3ncc[#6]1:[#6]:[P00533 DrugBank 1 0.4

DB07159 Tamatinib COc1cc(Nc2ncc(F)c(Nc3ccc[#6]1:[#6]:[P00533 DrugBank 1 0.39

DB07333 N-(CYCLOP
COc1ccc(S(=O)(=O)NCC2CC2
[#6]1:[#6]:[P00533 DrugBank 1 0.39

DB08784 2-(4-CHLOO=C(O)c1cccnc1Nc1ccc(Cl)[#6]1:[#6]:[P00533 DrugBank 1 0.39

DB07382 N~2~-1H-be
c1cc(Nc2cc(C3CC3)n[nH]2)n[#6]1:[#6]:[P00533 DrugBank 1 0.38

DB12282 Defactinib CNC(=O)c1ccc(Nc2ncc(C(F)[#6]1:[#6]:[P00533 DrugBank 1 0.38

DB01325 Quinethaz CCC1NC(=O)c2cc(S(N)(=O)=

[#6]1:[#6]:[P00533 DrugBank 1 0.37
DB02358 LY374571 Nc1nc(=O)c(N)c(NC(=O)Nc2[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB02915 4-(2,4-DimeCc1nc(C)c(-c2ccnc(Nc3ccc(C
[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB08572 4-{[4-AM NC(=O)c1ccc(Nc2nc(N)c(N [#6]1:[#6]:[P00533 DrugBank 1 0.37

DB09218 Clonixin Cc1c(Cl)cccc1Nc1ncccc1C( [#6]1:[#6]:[P00533 DrugBank 1 0.37

DB12355 NetazepideCNc1cccc(NC(=O)NC2N=C(c
[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB12676 Modufolin Nc1nc2c(c(=O)[nH]1)N1CN [#6]1:[#6]:[P00533 DrugBank 1 0.37

DB15110 OnvansertiCN1CCN(c2ccc(OC(F)(F)F)c[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB08341 4-{[4-{[(1R CNS(=O)(=O)c1ccc(Nc2ncc([#6]1:[#6]:[P00533 DrugBank 1 0.36

DB14946 PCO-371 Cc1cc(N2C(=O)NC(=O)C2(C[#6]1:[#6]:[P00533 DrugBank 1 0.36

DB15499 CerdulatiniCCS(=O)(=O)N1CCN(c2ccc([#6]1:[#6]:[P00533 DrugBank 1 0.36

DB04552 Niflumic acO=C(O)c1cccnc1Nc1cccc(C(F

[#6]1:[#6]:[P00533 DrugBank 1 0.35

DB06920 EribaxabanCOC1CC(C(=O)Nc2ccc(-n3cc
[#6]1:[#6]:[P00533 DrugBank 1 0.35

DB11518 Flunixin Cc1c(Nc2ncccc2C(=O)O)ccc[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB12254 ABT-751 COc1ccc(S(=O)(=O)Nc2cccn[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB01807 N-[(3Z)-5-TCC(C)(C)c1cc(NC(=O)Nc2ccc
[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB02277 1-(5-Tert-BCn1nc(C(C)(C)C)cc1NC(=O)[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB07846 (3,4,8b-Tri CCc1ccccc1NC(=O)Oc1ccc2c

[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB11901 ApalutamidCNC(=O)c1ccc(N2C(=S)N(c3[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB16065 ProxalutamCC1(C)C(=O)N(c2ccc(C#N)c[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB02491 4-[4-(1-AmiCC(C)(N)c1ccc(-c2nc(Nc3c [#6]1:[#6]:[P00533 DrugBank 1 0.32

DB08355 1-methyl-8-Cn1nc(C(=O)O)c2c1-c1nc(N[#6]1:[#6]:[P00533 DrugBank 1 0.32

DB04407 4-[4-(4-MetCNc1nc(C)c(-c2ccnc(Nc3ccc[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB04452 AminoquinuCc1cc(N)c2cc(NC(=O)Nc3ccc
[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB04842 Fluspirilen O=C1NCN(c2ccccc2)C12CCN

[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB05835 NS-3728 O=C(Nc1cc(C(F)(F)F)cc(C(F)[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB07334 N-[5-(ETH CCS(=O)(=O)c1ccc(OC)c(Nc2

[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB12974 Roniciclib CC(O)C(C)Oc1nc(Nc2ccc(S([#6]1:[#6]:[P00533 DrugBank 1 0.31

DB05220 Alisertib COc1cc(Nc2ncc3c(n2)-c2cc [#6]1:[#6]:[P00533 DrugBank 1 0.3

DB13061 MLN8054 O=C(O)c1ccc(Nc2ncc3c(n2)-[#6]1:[#6]:[P00533 DrugBank 1 0.3

DB02833 [4-(2-AminoCc1nc(N)sc1-c1ccnc(Nc2cccc
[#6]1:[#6]:[P00533 DrugBank 1 0.29

DB04336 1-(4-Amidi N=C(N)c1ccc(NC(=O)Nc2ccc(

[#6]1:[#6]:[P00533 DrugBank 1 0.29

DB12555 NelotanserCOc1ccc(NC(=O)Nc2ccc(F)c[#6]1:[#6]:[P00533 DrugBank 1 0.29

DB02873 1-(2,6-DichO=C1NCc2c(-c3ccc(F)cc3F)[#6]1:[#6]:[P00533 DrugBank 1 0.28

DB04892 PhenserineCN1CCC2(C)c3cc(OC(=O)Nc
[#6]1:[#6]:[P00533 DrugBank 1 0.28

DB11763 MomelotiniN#CCNC(=O)c1ccc(-c2ccnc [#6]1:[#6]:[P00533 DrugBank 1 0.28

DB15197 RSV-604 O=C(Nc1ccccc1F)NC1N=C(c[#6]1:[#6]:[P00533 DrugBank 1 0.28

DB15317 Posiphen CN1CCC2(C)c3cc(OC(=O)Nc
[#6]1:[#6]:[P00533 DrugBank 1 0.28

DB03337 1-(2-Amidi N=C(N)c1ccc(NC(=O)Nc2ccc[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB07168 [4-({4-[(5- CNc1cc(Nc2cc(C3CC3)[nH]n[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB08796 PipazethatO=C(OCCOCCN1CCCCC1)N1
[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB08899 EnzalutamiCNC(=O)c1ccc(N2C(=S)N(c3[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB07137 (2S)-N-[(3ECC(C(=O)N=C1C=C(C2CC2)[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB06080 Linifanib Cc1ccc(F)c(NC(=O)Nc2ccc(-[#6]1:[#6]:[P00533 DrugBank 1 0.25

DB06883 1-[1-(3-amiCC(C)(C)c1cc(NC(=O)Nc2ccc
[#6]1:[#6]:[P00533 DrugBank 1 0.25

DB02830 FR236913 NC(=O)c1cn(C(CO)CCn2ccc[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB04518 3-[4-(2,4-DCc1nc(C)c(-c2ccnc(Nc3cccc[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB06295 PramiconazCC(C)N1CCN(c2ccc(N3CCN(
[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB12135 Elubrixin O=C(Nc1ccc(Cl)c(S(=O)(=O [#6]1:[#6]:[P00533 DrugBank 1 0.24

DB11521 Imidocarb O=C(Nc1cccc(C2=NCCN2)c[#6]1:[#6]:[P00533 DrugBank 1 0.23

DB00665 NilutamideCC1(C)NC(=O)N(c2ccc([N+]([#6]1:[#6]:[P00533 DrugBank 1 0.22

DB06882 1-[1-(3-amiCC(C)(C)c1cc(NC(=O)Nc2ccc
[#6]1:[#6]:[P00533 DrugBank 1 0.22

DB07396 AVE-2865 O=C(NC(=O)c1cc(F)c(F)cc1 [#6]1:[#6]:[P00533 DrugBank 1 0.22

DB11922 Danirixin Cc1c(F)cccc1NC(=O)Nc1cc [#6]1:[#6]:[P00533 DrugBank 1 0.22

DB13914 Volixibat CCCCC1(CC)CS(=O)(=O)c2c

[#6]1:[#6]:[P00533 DrugBank 1 0.22
DB02455 FluoresceinCCNC(=S)Nc1ccc(-c2c3ccc([#6]1:[#6]:[P00533 DrugBank 1 0.21

DB06976 1-(5-OXO- O=C(Nc1cc(C2CCCN2)[nH] [#6]1:[#6]:[P00533 DrugBank 1 0.21

DB07968 N-(2-CHL COc1ccc(O)cc1NC(=O)NC(=O

[#6]1:[#6]:[P00533 DrugBank 1 0.21

DB13607 PicloxydineN=C(NC(=N)N1CCN(C(=N)NC(
[#6]1:[#6]:[P00533 DrugBank 1 0.21

DB00981 PhysostigmCNC(=O)Oc1ccc2c(c1)C1( [#6]1:[#6]:[P00533 DrugBank 1 0.2

DB01131 Proguanil CC(C)NC(=N)NC(=N)Nc1ccc(

[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB02029 N-CyclohexO=C(Nc1ccc(I)cc1)NC1CCC[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB08331 N-1H-imidac1c[nH]c(Nc2ccc(Nc3ccc(Nc[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB08673 4-[(5-ISO CC(C)c1cnc(Nc2ccc(S(N)(=O[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB11424 Lufenuron O=C(NC(=O)c1c(F)cccc1F)Nc
[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB12309 GI-181771CC(C)N(C(=O)CN1C(=O)C(NC
[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB12314 ChlorproguCC(C)NC(=N)NC(=N)Nc1ccc(
[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB12949 PF-033827CC1(C)C(=O)N(C(=O)NCC2[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB15006 FlufenoxurO=C(NC(=O)c1c(F)cccc1F)Nc
[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB16037 BI 44370 TCc1cc(CC(OC(=O)N2CCC(N[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB07395 4-[3-(2-ChlO=C(NC(=O)c1cc(F)c(F)cc1 [#6]1:[#6]:[P00533 DrugBank 1 0.19

DB07496 1,3-diphenO=C(Nc1ccccc1)Nc1ccccc1 [#6]1:[#6]:[P00533 DrugBank 1 0.19

DB08077 2-[4-({[ CC(C)(Oc1ccc(NC(=O)Nc2cc(

[#6]1:[#6]:[P00533 DrugBank 1 0.19
DB11155 TriclocarbaO=C(Nc1ccc(Cl)cc1)Nc1ccc(C
[#6]1:[#6]:[P00533 DrugBank 1 0.19

DB00697 Tizanidine Clc1ccc2nsnc2c1NC1=NCC[#6]1:[#6]:[P00533 DrugBank 1 0.18

DB00964 ApraclonidNc1cc(Cl)c(NC2=NCCN2)c(C[#6]1:[#6]:[P00533 DrugBank 1 0.18

DB04862 MerimepodCOc1cc(NC(=O)Nc2cccc(CN[#6]1:[#6]:[P00533 DrugBank 1 0.18

DB11543 RomifidineFc1cccc(Br)c1NC1=NCCN1 [#6]1:[#6]:[P00533 DrugBank 1 0.18

DB00575 Clonidine Clc1cccc(Cl)c1NC1=NCCN1[#6]1:[#6]:[P00533 DrugBank 1 0.17

DB13083 Talarozole CCC(CC)C(c1ccc(Nc2nc3ccc[#6]1:[#6]:[P00533 DrugBank 1 0.17

DB13429 Tolonidine Cc1ccc(NC2=NCCN2)c(Cl)c[#6]1:[#6]:[P00533 DrugBank 1 0.17

DB08027 CAP-1 Cc1ccc(NC(=O)NCCSCc2ccc

[#6]1:[#6]:[P00533 DrugBank 1 0.16
DB12227 Tetulomab NC(CCCCNC(=S)Nc1ccc(CC[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB04643 4-{3-CHLOO=C(O)CCCOc1ccc(NC(=O)NC
[#6]1:[#6]:[P00533 DrugBank 1 0.15

DB04644 4-{4-[3-( Cc1c(NC(=O)NC(=O)c2ccc(C

[#6]1:[#6]:[P00533 DrugBank 1 0.15

DB06985 2-[({4-[2-( O=C(O)c1ccccc1NC(=O)N1C[#6]1:[#6]:[P00533 DrugBank 1 0.15

DB07328 METHYL 4-COC(=O)c1ccc(NC(=O)NCC[#6]1:[#6]:[P00533 DrugBank 1 0.15

DB07616 4-{[4-(4-fl Cc1cc(-c2csc(Nc3ccc(C(=O)[#6]1:[#6]:[P00533 DrugBank 1 0.15

DB11434 NicarbazinO=C(Nc1ccc([N+](=O)[O-])cc[#6]1:[#6]:[P00533 DrugBank 1 0.15

DB16254 NevanimibCC(C)c1cccc(C(C)C)c1NC( [#6]1:[#6]:[P00533 DrugBank 1 0.15

DB00878 ChlorhexidN=C(NCCCCCCNC(=N)NC(=N)
[#6]1:[#6]:[P00533 DrugBank 1 0.14
DB04645 5-{3-[3-( Cc1c(NC(=O)NC(=O)c2ccc( [#6]1:[#6]:[P00533 DrugBank 1 0.14

DB07286 BMS-5649Cc1c(N2C(=O)C3C(O)CCN3C
[#6]1:[#6]:[P00533 DrugBank 1 0.14

DB08359 2-PHENYLCC(=O)c1sc(Nc2ccccc2)nc1[#6]1:[#6]:[P00533 DrugBank 1 0.14

DB12461 GLPG-049CN1C(=O)N(c2ccc(C#N)c(C([#6]1:[#6]:[P00533 DrugBank 1 0.14

DB12931 Fenobam CN1CC(=O)N=C1NC(=O)Nc1c

[#6]1:[#6]:[P00533 DrugBank 1 0.14

DB14191 DiphenylguN=C(Nc1ccccc1)Nc1ccccc1 [#6]1:[#6]:[P00533 DrugBank 1 0.14

DB04642 7-{2,6-DI O=C(O)CCCCCCOc1c(Cl)cc([#6]1:[#6]:[P00533 DrugBank 1 0.13

DB12994 MIP-1095 IO=C(O)CCC(NC(=O)NC(CCCC

[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB13827 Indanazoli c1cc2c(c(NC3=NCCN3)c1) [#6]1:[#6]:[P00533 DrugBank 1 0.13

DB14978 MIP-1095 IO=C(O)CCC(NC(=O)NC(CCCC
[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB07627 (2S)-4-M CC(C)CC(NC(=S)Nc1ccccc [#6]1:[#6]:[P00533 DrugBank 1 0.12

DB11770 Talinolol CC(C)(C)NCC(O)COc1ccc( [#6]1:[#6]:[P00533 DrugBank 1 0.12

DB13064 Tramazolinc1cc2c(c(NC3=NCCN3)c1) [#6]1:[#6]:[P00533 DrugBank 1 0.12

DB13608 Tiocarlide CC(C)CCOc1ccc(NC(=S)Nc2[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB04778 SC45647 CC(NC(NCC(O)O)Nc1ccc(CN

[#6]1:[#6]:[P00533 DrugBank 1 0.1

DB08087 4-[(7R,7A N#Cc1ccc(N2C(=O)C3C(O) [#6]1:[#6]:[P00533 DrugBank 1 0.1

DB08479 N-(3,5-dimCOc1cc(NC(=N)NC(=N)N)cc[#6]1:[#6]:[P00533 DrugBank 1 0.1

DB07816 N-(P-CYA N#Cc1ccc(NC(=NCC(=O)O)NC

[#6]1:[#6]:[P00533 DrugBank 1 0.09
DB12030 FluoresceinCC(CCC(=O)NC(CCCCNC(=S
[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB04846 Celiprolol CCN(CC)C(=O)Nc1ccc(OCC(

[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB03157 N,O-didansy
CN(C)c1cccc2c(S(=O)(=O)N[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB01879 (S)-2-{Met CN(C(=O)c1cc(OS(=O)(=O)c[#6]1:[#6]:[P00533 DrugBank 1 0.17

DB05377 ChlorfensoO=S(=O)(Oc1ccc(Cl)cc1)c1c[#6]1:[#6]:[P00533 DrugBank 1 0.06

DB13002 HKI-357 CCOc1cc2ncc(C#N)c(Nc3ccc

[#6]1:[#6]:[P00533 DrugBank 1 0.96

DB07113 (2S)-6-(2 CCc1nc(N)nc(N)c1-c1ccc2c [#6]1:[#6]:[P00533 DrugBank 1 0.57

DB05075 TG-100801Cc1cc(-c2cc(OC(=O)c3cccc [#6]1:[#6]:[P00533 DrugBank 1 0.55

DB15367 LY-262309CC(CN1CCOCC1)n1c(NC(N)=
[#6]1:[#6]:[P00533 DrugBank 1 0.49
DB16690 TegoprazaCc1nc2cc(C(=O)N(C)C)cc(O[#6]1:[#6]:[P00533 DrugBank 1 0.48

DB15646 Fasitibant Cc1cc(C)c2cccc(OCc3c(Cl) [#6]1:[#6]:[P00533 DrugBank 1 0.45

DB05038 Anatibant Cc1cc(C)c2cccc(OCc3c(Cl) [#6]1:[#6]:[P00533 DrugBank 1 0.44

DB16056 GZ-389988COc1ccc(COc2ccc(Cn3c(N)n[#6]1:[#6]:[P00533 DrugBank 1 0.42

DB16226 MaralixibatCCCCC1(CCCC)CS(=O)(=O)c
[#6]1:[#6]:[P00533 DrugBank 1 0.42

DB11574 Elbasvir COC(=O)NC(C(=O)N1CCCC1c1

[#6]1:[#6]:[P00533 DrugBank 1 0.4

DB11613 VelpatasvirCOCC1CC(c2ncc(-c3ccc4c(c[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB16347 VelsecoratCC(NC(=O)C(C)(F)F)C(Oc1c[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB16126 CinaciguatO=C(O)CCCCN(CCc1ccccc1O
[#6]1:[#6]:[P00533 DrugBank 1 0.35
DB12598 NafamostatN=C(N)Nc1ccc(C(=O)Oc2ccc[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB02555 SP4160 CC(=O)Nc1ccc(COc2ccc(-c3[#6]1:[#6]:[P00533 DrugBank 1 0.32

DB14894 Galicaftor O=C(O)c1ccc(C2CC(NC(=O)C

[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB02269 [4-({[5-Be C[N+](C)(C)c1ccc(CNC(=O) [#6]1:[#6]:[P00533 DrugBank 1 0.29

DB00768 OlopatadinCN(C)CCC=C1c2ccccc2COc[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB15325 ONO-8539Cc1cc(C(=O)O)ccc1COc1cc[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB01142 Doxepin CN(C)CCC=C1c2ccccc2COc[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB06873 1-((2-HYD O=c1[nH]c(=O)n(COCCO)cc[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB14750 Cidoxepin CN(C)CCC=C1c2ccccc2COc[#6]1:[#6]:[P00533 DrugBank 1 0.24

DB07439 1-((2-HYD O=c1[nH]c(=O)n(COCCO)c(O
[#6]1:[#6]:[P00533 DrugBank 1 0.22

DB12280 AZD-5423 COc1cccc(C(Oc2ccc3c(cnn3-

[#6]1:[#6]:[P00533 DrugBank 1 0.22

DB06248 AmelubantCCOC(=O)NC(=N)c1ccc(OCc2
[#6]1:[#6]:[P00533 DrugBank 1 0.21

DB16123 CeralifimodCCCc1ccc(COc2ccc3c(c2)C[#6]1:[#6]:[P00533 DrugBank 1 0.21

DB12445 Nitroaspiri CC(=O)Oc1ccccc1C(=O)Oc1c

[#6]1:[#6]:[P00533 DrugBank 1 0.19

DB15065 PF-062918CCCC(Oc1cc(C)c(-n2cc(C(F[#6]1:[#6]:[P00533 DrugBank 1 0.19

DB16446 VafidemstaNc1nnc(CNC2CC2c2ccc(OCc
[#6]1:[#6]:[P00533 DrugBank 1 0.19

DB14737 CannabinolCCCCCc1cc(O)c2c(c1)OC(C)
[#6]1:[#6]:[P00533 DrugBank 1 0.18

DB13729 Camostat CN(C)C(=O)COC(=O)Cc1ccc[#6]1:[#6]:[P00533 DrugBank 1 0.17

DB00901 Bitolterol Cc1ccc(C(=O)Oc2ccc(C(O)C[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB01573 BenzylmorCN1CCC23c4c5ccc(OCc6cc[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB02615 CompoundCC(COc1ccc(C2Oc3ccc(O)c[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB02715 CompoundCC(COc1ccc(C2Oc3ccc(O)c[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB08610 N-(2-AMINCC(C)c1ccc(COc2ccc(CC(= [#6]1:[#6]:[P00533 DrugBank 1 0.16

DB15046 LY-288183CC#CC(CC(=O)O)c1ccc(OCc
[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB00234 ReboxetineCCOc1ccccc1OC(c1ccccc1 [#6]1:[#6]:[P00533 DrugBank 1 0.15

DB07036 (3aS,4R,9bCOCc1cc(O)cc2c1OC(c1ccc[#6]1:[#6]:[P00533 DrugBank 1 0.15

DB12395 EsreboxetiCCOc1ccccc1OC(c1ccccc1 [#6]1:[#6]:[P00533 DrugBank 1 0.15

DB15052 AnsofaxineCc1ccc(C(=O)Oc2ccc(C(CN [#6]1:[#6]:[P00533 DrugBank 1 0.15

DB09186 Nisoxetine CNCCC(Oc1ccccc1OC)c1cc[#6]1:[#6]:[P00533 DrugBank 1 0.14

DB16042 SB-773812COc1cc2c(cc1S(=O)(=O)c1c[#6]1:[#6]:[P00533 DrugBank 1 0.14

DB02316 1-(5-Carbox
O=C(O)CCCCCn1c(C(=O)O)cc
[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB07513 7-[(3-CH CNCc1cc(=O)oc2cc(OCc3ccc

[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB12491 Fasiglifam Cc1cc(OCCCS(C)(=O)=O)cc[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB14934 GDC-0927CC1=C(c2cccc(O)c2)C(c2cc[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB16266 OlodanrigaCOc1ccc2c(c1OCc1ccccc1)C
[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB00472 Fluoxetine CNCCC(Oc1ccc(C(F)(F)F)cc[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB03823 EpigallocatOc1cc(O)c2c(c1)OC(c1cc(O)[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB06649 PriralfinamCC(NCc1ccc(OCc2ccccc2F)[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB06654 SafinamideCC(NCc1ccc(OCc2cccc(F)c2[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB08020 (3AS,4R, COCc1cc(O)cc2c1OC(c1ccc[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB08472 (R)-FluoxetCNCCC(Oc1ccc(C(F)(F)F)cc[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB08544 (S)-FluoxetCNCCC(Oc1ccc(C(F)(F)F)cc[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB12039 Epicatechi Oc1cc(O)c2c(c1)OC(c1ccc(O[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB14086 CianidanolOc1cc(O)c2c(c1)OC(c1ccc(O[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB14736 CannabivarCCCc1cc(O)c2c(c1)OC(C)(C)
[#6]1:[#6]:[P00533 DrugBank 1 0.12
DB00289 AtomoxetinCNCCC(Oc1ccccc1C)c1cccc[#6]1:[#6]:[P00533 DrugBank 1 0.11

DB11704 AdomeglivaCc1cc(OC(CCC(F)(F)F)c2cc[#6]1:[#6]:[P00533 DrugBank 1 0.11

DB11811 ArhalofenaCC(=O)NCCOC(=O)C(Oc1cccc
[#6]1:[#6]:[P00533 DrugBank 1 0.11

DB08108 N-({6-[(4 N#Cc1ccc(COc2ccc3cc(S(= [#6]1:[#6]:[P00533 DrugBank 1 0.1

DB11433 Nequinate CCCCc1cc2c(=O)c(C(=O)OC[#6]1:[#6]:[P00533 DrugBank 1 0.1

DB04703 HesperidinCOc1ccc(C2CC(=O)c3c(O) [#6]1:[#6]:[P00533 DrugBank 1 0.09

DB08112 N-({6-[( N#Cc1ccc(COc2ccc3cc(S(=O

[#6]1:[#6]:[P00533 DrugBank 1 0.09

DB15348 AmpreloxetFc1cc(F)c(OCc2ccccc2C2C [#6]1:[#6]:[P00533 DrugBank 1 0.09

DB15496 DidesmethyCOc1ccc(C23Oc4cc(OC)cc([#6]1:[#6]:[P00533 DrugBank 1 0.09

DB03742 CompoundOc1ccc(C2Sc3cc(O)ccc3OC[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB06663 PasireotideNCCCCC1NC(=O)C(Cc2c[nH]
[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB07567 (2R,3R,4S CC1c2cc(O)ccc2OC(c2ccc( [#6]1:[#6]:[P00533 DrugBank 1 0.08

DB07638 (3AS,4R,9 Oc1ccc(C2Oc3ccc(O)cc3C3C

[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB08737 (3AS,4R, Oc1ccc(C2Oc3cccc(O)c3C3[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB11706 RaxatrigineNC(=O)C1CCC(c2ccc(OCc3c
[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB12101 CC-220 O=C1CCC(N2Cc3c(OCc4ccc[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB14766 Etrasimod O=C(O)CC1CCc2c1[nH]c1ccc

[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB06731 SeproxetinNCCC(Oc1ccc(C(F)(F)F)cc1[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB07099 N-[4-(benzNCC(=O)Nc1ccc(OCc2ccccc[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB09199 Netoglitaz O=C1NC(=O)C(Cc2ccc3cc(O[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB15495 RocaglamiCOc1ccc(C23Oc4cc(OC)cc(O
[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB01094 HesperetinCOc1ccc(C2CC(=O)c3c(O)c[#6]1:[#6]:[P00533 DrugBank 1 0.06

DB02224 Taxifolin O=C1c2c(O)cc(O)cc2OC(c2c[#6]1:[#6]:[P00533 DrugBank 1 0.06

DB03063 N-[(2S,3S)-COc1cc(C(=O)NC(Cc2cccc [#6]1:[#6]:[P00533 DrugBank 1 0.06

DB07104 4-amino-N-NCCCC(=O)Nc1ccc(OCc2ccc
[#6]1:[#6]:[P00533 DrugBank 1 0.06

DB09298 Silibinin COc1cc(C2Oc3cc(C4Oc5cc([#6]1:[#6]:[P00533 DrugBank 1 0.06

DB13016 LY-230055CCCc1c(OCc2ccc(C(O)c3ccc
[#6]1:[#6]:[P00533 DrugBank 1 0.06
DB13039 AminaphthCc1c(OC(=O)c2ccc(N)cc2)c [#6]1:[#6]:[P00533 DrugBank 1 0.06

DB13953 Estradiol CC12CCC3c4ccc(OC(=O)c5[#6]1:[#6]:[P00533 DrugBank 1 0.06

DB15645 DihydromyrO=C1c2c(O)cc(O)cc2OC(c2c[#6]1:[#6]:[P00533 DrugBank 1 0.06

DB16080 Acolbifene CC1=C(c2ccc(O)cc2)C(c2c [#6]1:[#6]:[P00533 DrugBank 1 0.06

DB07102 (2S)-2-amiNC(CCC(=O)Nc1ccc(OCc2cc[#6]1:[#6]:[P00533 DrugBank 1 0.05

DB08516 (S)-(+)-2 CC(N=Cc1ccc(OCc2cccc(F)c[#6]1:[#6]:[P00533 DrugBank 1 0.05

DB09219 Bisoxatin O=C1Nc2ccccc2OC1(c1ccc(O

[#6]1:[#6]:[P00533 DrugBank 1 0.05

DB14654 Bisoxatin aCC(=O)Oc1ccc(C2(c3ccc(O [#6]1:[#6]:[P00533 DrugBank 1 0.05

DB09372 Tannic aci O=C(OCC1OC(OC(=O)c2cc(O)c

[#6]1:[#6]:[P00533 DrugBank 1 0.04
DB04287 KH064 O=C(O)CCC(Cc1ccc(OCc2cc
[#6]1:[#6]:[P00533 DrugBank 1 0.03

DB07933 Erteberel Oc1ccc(C2Oc3ccc(O)cc3C3[#6]1:[#6]:[P00533 DrugBank 1 0.03

DB07512 7-[(3-CH O=Cc1cc(=O)oc2cc(OCc3ccc

[#6]1:[#6]:[P00533 DrugBank 1 0.02

DB12116 EpigallocatO=C(OC1Cc2c(O)cc(O)cc2OC
[#6]1:[#6]:[P00533 DrugBank 1 0.02

DB12812 Palomid 52COc1ccc(COc2cc3oc(=O)c4c

[#6]1:[#6]:[P00533 DrugBank 1 0.02

DB16120 Epigallo CaO=C(OC1Cc2c(O)cc(O)cc2OC

[#6]1:[#6]:[P00533 DrugBank 1 0.02

DB00600 Monobenz Oc1ccc(OCc2ccccc2)cc1 [#6]1:[#6]:[P00533 DrugBank 1 0.01

DB03467 NaringeninO=C1CC(c2ccc(O)cc2)Oc2cc
[#6]1:[#6]:[P00533 DrugBank 1 0.01

DB06807 Phenyl amiNc1ccc(C(=O)Oc2ccccc2)c( [#6]1:[#6]:[P00533 DrugBank 1 0.01

DB08517 SakuranetiCOc1cc(O)c2c(c1)OC(c1ccc[#6]1:[#6]:[P00533 DrugBank 1 0.01

DB13657 Benorilate CC(=O)Nc1ccc(OC(=O)c2cc[#6]1:[#6]:[P00533 DrugBank 1 0.01

DB01399 Salsalate O=C(Oc1ccccc1C(=O)O)c1c[#6]1:[#6]:[P00533 DrugBank 1 0

DB03601 5-deoxyfla O=C1CC(c2ccc(O)cc2)Oc2cc

[#6]1:[#6]:[P00533 DrugBank 1 0

DB04274 (2S)-7-hydO=C1CC(c2ccccc2)Oc2cc(O[#6]1:[#6]:[P00533 DrugBank 1 0

DB04429 4'-HydroxyO=C1CC(c2ccc(O)cc2)Oc2c[#6]1:[#6]:[P00533 DrugBank 1 0

DB11071 Phenyl saliO=C(Oc1ccccc1)c1ccccc1O[#6]1:[#6]:[P00533 DrugBank 1 0

DB13027 Tucaresol O=Cc1c(O)cccc1OCc1ccc(C[#6]1:[#6]:[P00533 DrugBank 1 0

DB13538 GuacetisalCOc1ccccc1OC(=O)c1ccccc[#6]1:[#6]:[P00533 DrugBank 1 0

DB00317 Gefitinib COc1cc2ncnc(Nc3ccc(F)c( [#6]1:[#6]:[P00533 DrugBank 1 1

DB01259 Lapatinib CS(=O)(=O)CCNCc1ccc(-c2cc

[#6]1:[#6]:[P00533 DrugBank 1 1

DB05424 Canertinib C=CC(=O)Nc1cc2c(Nc3ccc([#6]1:[#6]:[P00533 DrugBank 1 1

DB11973 Tesevatini COc1cc2c(Nc3ccc(Cl)c(Cl [#6]1:[#6]:[P00533 DrugBank 1 1

DB12114 Poziotinib C=CC(=O)N1CCC(Oc2cc3c(N

[#6]1:[#6]:[P00533 DrugBank 1 1

DB05294 VandetanibCOc1cc2c(Nc3ccc(Br)cc3F [#6]1:[#6]:[P00533 DrugBank 1 0.99

DB07662 PD-168393C=CC(=O)Nc1ccc2ncnc(Nc3c
[#6]1:[#6]:[P00533 DrugBank 1 0.99

DB11963 Dacomitini COc1cc2ncnc(Nc3ccc(F)c( [#6]1:[#6]:[P00533 DrugBank 1 0.99

DB12183 Sapitinib CNC(=O)CN1CCC(Oc2cc3c(N

[#6]1:[#6]:[P00533 DrugBank 1 0.99
DB12174 CUDC-101C#Cc1cccc(Nc2ncnc3cc(OC[#6]1:[#6]:[P00533 DrugBank 1 0.98

DB11747 Barasertib CCN(CCCOc1ccc2c(Nc3cc(C

[#6]1:[#6]:[P00533 DrugBank 1 0.97

DB08564 (2E)-N-{4- CN(C)CC=CC(=O)Nc1ccc2ncn

[#6]1:[#6]:[P00533 DrugBank 1 0.96

DB08462 N-(4-PHE C=CC(=O)Nc1ccc2ncnc(Nc3c

[#6]1:[#6]:[P00533 DrugBank 1 0.94

DB06163 PlevitrexedC#CCN(Cc1cc2c(=O)nc(C)[n[#6]1:[#6]:[P00533 DrugBank 1 0.93

DB08916 Afatinib CN(C)CC=CC(=O)Nc1cc2c(N

[#6]1:[#6]:[P00533 DrugBank 1 0.93

DB06021 AV-412 C=CC(=O)Nc1cc2c(Nc3ccc([#6]1:[#6]:[P00533 DrugBank 1 0.92

DB05944 Varlitinib CC1COC(Nc2ccc3ncnc(Nc4cc

[#6]1:[#6]:[P00533 DrugBank 1 0.9

DB03678 (6,7-Difluo CC(Nc1ncnc2cc(F)c(F)cc12)[#6]1:[#6]:[P00533 DrugBank 1 0.89

DB07249 N-(5-chloroCOc1cc2c(Nc3c(Cl)ccc4c [#6]1:[#6]:[P00533 DrugBank 1 0.88

DB00530 Erlotinib C#Cc1cccc(Nc2ncnc3cc(OC[#6]1:[#6]:[P00533 DrugBank 1 0.86

DB12302 CP-724714COCC(=O)NCC=Cc1ccc2ncnc(
[#6]1:[#6]:[P00533 DrugBank 1 0.83

DB14795 AZD-3759 COc1cc2ncnc(Nc3cccc(Cl) [#6]1:[#6]:[P00533 DrugBank 1 0.83

DB15431 M-2698 NC(=O)c1cccc2c(NC(CN3CCC

[#6]1:[#6]:[P00533 DrugBank 1 0.83

DB06831 2-((9H-PU COc1ccccc1-n1c(CSc2ncnc3[#6]1:[#6]:[P00533 DrugBank 1 0.82

DB11737 Icotinib C#Cc1cccc(Nc2ncnc3cc4c [#6]1:[#6]:[P00533 DrugBank 1 0.82

DB11805 SaracatinibCN1CCN(CCOc2cc(OC3CCOC
[#6]1:[#6]:[P00533 DrugBank 1 0.8

DB13088 AZD-0424 CC(=O)N1CCN(CCOc2cc(OC(

[#6]1:[#6]:[P00533 DrugBank 1 0.8
DB02848 {4-[3-(6,7- CCOc1cc2ncnc(Nc3cccc(-c4[#6]1:[#6]:[P00533 DrugBank 1 0.79

DB15407 Acalisib CC(Nc1ncnc2nc[nH]c12)c1nc

[#6]1:[#6]:[P00533 DrugBank 1 0.79

DB12535 AC-430 Cc1cc(Nc2nc(C(O)c3ccc(F)c[#6]1:[#6]:[P00533 DrugBank 1 0.78

DB00293 RaltitrexedCc1nc(=O)c2cc(CN(C)c3ccc[#6]1:[#6]:[P00533 DrugBank 1 0.77

DB09054 Idelalisib CCC(Nc1ncnc2[nH]cnc12)c1n

[#6]1:[#6]:[P00533 DrugBank 1 0.71

DB07267 2-(6-methylCc1cccc(-c2nc(Nc3ccncc3)c[#6]1:[#6]:[P00533 DrugBank 1 0.7

DB16703 BelumosudiCC(C)NC(=O)COc1cccc(-c2n[#6]1:[#6]:[P00533 DrugBank 1 0.7

DB02984 4-[3-MethylCOc1cc2ncnc(Nc3cccc(SC) [#6]1:[#6]:[P00533 DrugBank 1 0.66

DB07642 5-{[1-(2-fl Nc1nc(N)c2c(OCC3CCN(Cc4

[#6]1:[#6]:[P00533 DrugBank 1 0.65
DB05616 4'-MethylenC=C(CC(NC(=O)c1ccc(CCc2c
[#6]1:[#6]:[P00533 DrugBank 1 0.64

DB05585 Verubulin COc1ccc(N(C)c2nc(C)nc3cc[#6]1:[#6]:[P00533 DrugBank 1 0.61

DB07643 5-{[1-(2,3- Nc1nc(N)c2c(OCC3CCN(Cc4c

[#6]1:[#6]:[P00533 DrugBank 1 0.61

DB05465 Tandutinib COc1cc2c(N3CCN(C(=O)Nc[#6]1:[#6]:[P00533 DrugBank 1 0.6

DB12669 4SC-203 COc1ccc(C)cc1NC(=O)Nc1n[#6]1:[#6]:[P00533 DrugBank 1 0.6

DB16167 FisogatinibC=CC(=O)NC1CCOCC1Nc1ncc
[#6]1:[#6]:[P00533 DrugBank 1 0.6

DB03365 4-[3-HydroCOc1cc2ncnc(Nc3cccc(O)c [#6]1:[#6]:[P00533 DrugBank 1 0.59

DB08450 N-1H-indazo
Cc1cccc(-c2nc(Nc3ccc4[nH][#6]1:[#6]:[P00533 DrugBank 1 0.59

DB02794 (2S)-2-({4- Nc1nc(=O)c2cc(CC(O)(CNC[#6]1:[#6]:[P00533 DrugBank 1 0.57

DB07602 S-{3-[(4- NC(CSCCC(=O)Nc1ccc2ncnc
[#6]1:[#6]:[P00533 DrugBank 1 0.57

DB08351 N-cycloprop
Cc1ccc(C(=O)NC2CC2)cc1 [#6]1:[#6]:[P00533 DrugBank 1 0.57

DB12673 ATX-914 C#CCOc1ccc2c(c1)c(-c1ccc([#6]1:[#6]:[P00533 DrugBank 1 0.57

DB08391 PQ-10 COc1cc2ncnc(N3CCC(Oc4cn

[#6]1:[#6]:[P00533 DrugBank 1 0.56

DB03072 2-{3-[4-(4- Cc1cccc2c(=O)[nH]c(CCCN3[#6]1:[#6]:[P00533 DrugBank 1 0.54

DB08389 6,7-DIMETCOc1cc2ncnc(N3CCC(Oc4cc
[#6]1:[#6]:[P00533 DrugBank 1 0.54

DB11910 MK-0249 Cc1nc2cccc(C(F)(F)F)c2c( [#6]1:[#6]:[P00533 DrugBank 1 0.53

DB15068 AgerafenibCOc1cc2ncnc(Oc3cccc(NC(=[#6]1:[#6]:[P00533 DrugBank 1 0.52

DB04833 Methaqual Cc1ccccc1-n1c(C)nc2ccccc [#6]1:[#6]:[P00533 DrugBank 1 0.51

DB08454 N-(5-METHCc1cc(Nc2nc(-c3ccccc3)nc3[#6]1:[#6]:[P00533 DrugBank 1 0.51

DB12230 Bunazosin CCCC(=O)N1CCCN(c2nc(N)c

[#6]1:[#6]:[P00533 DrugBank 1 0.51

DB11652 Tucatinib Cc1cc(Nc2ncnc3ccc(NC4=NC

[#6]1:[#6]:[P00533 DrugBank 1 0.5

DB15047 BMS-9193NS(=O)(=O)c1cncc(-c2nc(NC[#6]1:[#6]:[P00533 DrugBank 1 0.5

DB06188 Ispinesib Cc1ccc(C(=O)N(CCCN)C(c2n

[#6]1:[#6]:[P00533 DrugBank 1 0.48

DB00346 Alfuzosin COc1cc2nc(N(C)CCCNC(=O[#6]1:[#6]:[P00533 DrugBank 1 0.47

DB15371 MK-2748 C=CC1CC1(NC(=O)C1CC2CN

[#6]1:[#6]:[P00533 DrugBank 1 0.47

DB04004 2,6-DiaminCN(C)CCSCc1cc(N)cc2c(=O)
[#6]1:[#6]:[P00533 DrugBank 1 0.46

DB08882 Linagliptin CC#CCn1c(N2CCCC(N)C2)nc

[#6]1:[#6]:[P00533 DrugBank 1 0.46
DB07827 4-{[1-MET Cn1c(=O)n(Cc2ccc(C(=O)O)[#6]1:[#6]:[P00533 DrugBank 1 0.43

DB13649 ProquazonCc1ccc2c(-c3ccccc3)nc(=O)[#6]1:[#6]:[P00533 DrugBank 1 0.43

DB00457 Prazosin COc1cc2nc(N3CCN(C(=O)c4[#6]1:[#6]:[P00533 DrugBank 1 0.42

DB02599 2,6-DiaminCCCSCc1cc(N)cc2c(=O)[nH][#6]1:[#6]:[P00533 DrugBank 1 0.42

DB03541 10-Propargy
C#CCN(Cc1ccc2[nH]c(N)nc([#6]1:[#6]:[P00533 DrugBank 1 0.42

DB15145 Ziresovir Cc1ccc2nc(N3CCS(=O)(=O)[#6]1:[#6]:[P00533 DrugBank 1 0.42

DB01162 Terazosin COc1cc2nc(N3CCN(C(=O)C[#6]1:[#6]:[P00533 DrugBank 1 0.4

DB06350 Elinogrel CNc1cc2[nH]c(=O)n(-c3ccc([#6]1:[#6]:[P00533 DrugBank 1 0.4

DB07612 6-(3-AMIN CC(C)(C)Nc1nc(C(F)(F)F)nc2

[#6]1:[#6]:[P00533 DrugBank 1 0.4
DB16119 CarotegrasCOC(=O)C(Cc1ccc(-n2c(=O)c
[#6]1:[#6]:[P00533 DrugBank 1 0.4

DB04849 Cediranib COc1cc2c(Oc3ccc4[nH]c(C [#6]1:[#6]:[P00533 DrugBank 1 0.39

DB14857 AvadomideCc1nc2cccc(N)c2c(=O)n1C [#6]1:[#6]:[P00533 DrugBank 1 0.39

DB07564 6-amino-2-[Nc1nc2cc3[nH]c(NCCN4CCO
[#6]1:[#6]:[P00533 DrugBank 1 0.38

DB08203 7-[2-METHCOCC(COC)n1ccc2c3c(N)nc[#6]1:[#6]:[P00533 DrugBank 1 0.38

DB12369 SotrastauriCN1CCN(c2nc(C3=C(c4c[nH[#6]1:[#6]:[P00533 DrugBank 1 0.38

DB16252 Nedisertib COc1ccc(C(O)c2cc(-c3ncnc [#6]1:[#6]:[P00533 DrugBank 1 0.38

DB02427 2,4-DiaminCOc1ccc(OC)c(CN(C)c2ccc3[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB07644 5-[(1S)-1-( CC(Oc1cccc2nc(N)nc(N)c12)[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB08588 2-({2-[(3 N#Cc1ccccc1Cn1c(N2CCCC(
[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB12000 Apabetalo COc1cc(OC)c2c(=O)nc(-c3cc[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB00590 Doxazosin COc1cc2nc(N3CCN(C(=O)C[#6]1:[#6]:[P00533 DrugBank 1 0.36

DB02001 5-(4-Morpho
Nc1nc(N)c2c(Sc3ccc(N4CCO
[#6]1:[#6]:[P00533 DrugBank 1 0.36

DB09206 TrimazosinCOc1cc2c(N)nc(N3CCN(C(=[#6]1:[#6]:[P00533 DrugBank 1 0.36

DB12781 Balaglitaz Cn1c(COc2ccc(CC3SC(=O)N

[#6]1:[#6]:[P00533 DrugBank 1 0.35

DB01765 (5-hydroxyiO=C(O)Cc1c2ccccc2n2c1[nH
[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB04239 2-Amino-6-NCc1cc(CSc2ccccc2)c2nc(N)
[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB04543 2,6-DiaminNc1cc(CSc2ncc[nH]2)c2nc(N[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB07787 5-FLUORO-
O=c1[nH]c(=O)n(CCCCN2CC
[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB07853 2-[4-[4-[(5 N#CCC1C=CC(=Nc2nc(Nc3cc

[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB07966 [4-({4-[(5- N#CCc1ccc(Nc2nc(Nc3cc(C4

[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB08602 3-(2,6-difl CSc1nc2ccccc2c(=O)n1-c1c[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB12465 KetanserinO=C(c1ccc(F)cc1)C1CCN(C[#6]1:[#6]:[P00533 DrugBank 1 0.34

DB08514 6-amino-2-[Nc1nc2cc3nc(NCc4cccs4)[nH
[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB11670 SP-8203 CC(=O)N(CCCCNCCCn1c(=O)

[#6]1:[#6]:[P00533 DrugBank 1 0.33

DB08511 6-amino-2-Cc1nc2cc3nc(N)[nH]c(=O)c3[#6]1:[#6]:[P00533 DrugBank 1 0.32

DB12776 E-6005 CNc1nc(-c2cccc(NC(=O)c3c[#6]1:[#6]:[P00533 DrugBank 1 0.32

DB15291 BMS-9861Cc1c(-c2c(F)cc(C(N)=O)c3[ [#6]1:[#6]:[P00533 DrugBank 1 0.32

DB02690 NU1025 Cc1nc2c(O)cccc2c(=O)[nH]1[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB04866 HalofuginoO=C(CC1NCCCC1O)Cn1cnc2c
[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB08512 6-amino-2-Nc1nc2cc3[nH]c(NCc4cccc5c
[#6]1:[#6]:[P00533 DrugBank 1 0.31

DB12367 SelurampaCC(C)c1cc2[nH]c(=O)n(NS( [#6]1:[#6]:[P00533 DrugBank 1 0.31

DB12897 MK-7622 Cc1ccc(Cc2cc3c(=O)n(C4C [#6]1:[#6]:[P00533 DrugBank 1 0.31

DB07528 3-(2-aminoq
Cc1ccn(-c2cccc(C(F)(F)F)c2[#6]1:[#6]:[P00533 DrugBank 1 0.29

DB12912 NolatrexedCc1ccc2nc(N)[nH]c(=O)c2c [#6]1:[#6]:[P00533 DrugBank 1 0.29

DB02540 10-formyl-5Nc1nc(=O)c2cc(CC(C(=O)O)[#6]1:[#6]:[P00533 DrugBank 1 0.28

DB04264 (10R)-10-foNc1nc(=O)c2cc(CC(C(=O)O)[#6]1:[#6]:[P00533 DrugBank 1 0.28

DB03780 2-AminoquiNc1nc2ccccc2c(=O)[nH]1 [#6]1:[#6]:[P00533 DrugBank 1 0.27

DB06925 3-(2-AMI Cc1ccc(C(=O)Nc2cccc(C(F)([#6]1:[#6]:[P00533 DrugBank 1 0.27

DB07514 3-(2-aminoq
Cc1ccn(-c2ccc3c(c2)NCC3(C[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB08267 6-amino-4-(Nc1nc2c(CCc3ccccc3)c3nc[n[#6]1:[#6]:[P00533 DrugBank 1 0.27

DB01157 TrimetrexaCOc1cc(NCc2ccc3nc(N)nc( [#6]1:[#6]:[P00533 DrugBank 1 0.26

DB01825 2-amino-8-Cc1cccc2c(=O)nc(N)[nH]c12[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB04163 5-PhenylsuNc1nc(N)c2c(Sc3ccccc3)ccc[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB04306 5-[(4-MethyCc1ccc(Sc2cccc3nc(N)nc(N)[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB07704 6-AMINO-4COc1ccc(CCc2c3nc[nH]c3cc3
[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB08268 6-AMINO-4Cc1ccc(CCc2c3nc[nH]c3cc3c
[#6]1:[#6]:[P00533 DrugBank 1 0.26

DB02132 ZenarestatO=C(O)Cn1c(=O)n(Cc2ccc(Br
[#6]1:[#6]:[P00533 DrugBank 1 0.25

DB02402 5-(4-MethoCOc1ccc(Oc2cccc3nc(N)nc([#6]1:[#6]:[P00533 DrugBank 1 0.25

DB07012 6-AMINO-3Nc1nc2cc3[nH]cnc3cc2c(=O)[#6]1:[#6]:[P00533 DrugBank 1 0.25

DB07452 2,6-diaminoNc1nc2cc3nc(N)[nH]c3cc2c([#6]1:[#6]:[P00533 DrugBank 1 0.25

DB02532 2,4,6-TriamNc1ccc2nc(N)nc(N)c2c1 [#6]1:[#6]:[P00533 DrugBank 1 0.24

DB08317 5-methyl-6Cc1c(-c2ccccc2)ccc2nc(N)n [#6]1:[#6]:[P00533 DrugBank 1 0.24

DB01958 5-[4-Tert-BCC(C)(C)c1ccc(Sc2cccc3nc([#6]1:[#6]:[P00533 DrugBank 1 0.22

DB07862 7-(1-ETHYCCC(CC)n1ccc2c3c(N)nc(N)[#6]1:[#6]:[P00533 DrugBank 1 0.21

DB03505 2,6-diaminoNc1ccc2nc(N)nc(O)c2c1 [#6]1:[#6]:[P00533 DrugBank 1 0.2

DB11679 Fruquintini CNC(=O)c1c(C)oc2cc(Oc3nc[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB12073 AlbaconazoCC(n1cnc2cc(Cl)ccc2c1=O)C
[#6]1:[#6]:[P00533 DrugBank 1 0.2

DB12672 Icaritin COc1ccc(-c2oc3c(CC=C(C)C[#6]1:[#6]:[P00533 DrugBank 1 0.44

DB12052 Icariin COc1ccc(-c2oc3c(CC=C(C) [#6]1:[#6]:[P00533 DrugBank 1 0.37

DB07024 2-(3,4-DI Cc1cc(N2CCCS2(=O)=O)c2oc

[#6]1:[#6]:[P00533 DrugBank 1 0.19

DB13482 Dimefline COc1ccc2c(=O)c(C)c(-c3cc [#6]1:[#6]:[P00533 DrugBank 1 0.15

DB15157 Voruciclib CN1CCC(c2c(O)cc(O)c3c(=O)

[#6]1:[#6]:[P00533 DrugBank 1 0.15
DB01148 Flavoxate Cc1c(-c2ccccc2)oc2c(C(= [#6]1:[#6]:[P00533 DrugBank 1 0.11

DB13490 Hidrosmin COc1ccc(-c2cc(=O)c3c(OC [#6]1:[#6]:[P00533 DrugBank 1 0.1

DB08995 Diosmin COc1ccc(-c2cc(=O)c3c(O) [#6]1:[#6]:[P00533 DrugBank 1 0.09

DB12937 Quercetin- O=c1c(O)c(-c2ccc(O)c(OP(=[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB13124 Troxerutin CC1OC(OCC2OC(Oc3c(-c4c[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB13764 MonoxerutiCC1OC(OCC2OC(Oc3c(-c4cc
[#6]1:[#6]:[P00533 DrugBank 1 0.08

DB11259 Diosmetin COc1ccc(-c2cc(=O)c3c(O)cc[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB14008 Hispidulin COc1c(O)cc2oc(-c3ccc(O)cc[#6]1:[#6]:[P00533 DrugBank 1 0.07

DB02375 Myricetin O=c1c(O)c(-c2cc(O)c(O)c(O[#6]1:[#6]:[P00533 DrugBank 1 0.06

DB04216 Quercetin O=c1c(O)c(-c2ccc(O)c(O)c2 [#6]1:[#6]:[P00533 DrugBank 1 0.06

DB08230 Tricetin O=c1cc(-c2cc(O)c(O)c(O)c2 [#6]1:[#6]:[P00533 DrugBank 1 0.06

DB15584 Luteolin O=c1cc(-c2ccc(O)c(O)c2)oc [#6]1:[#6]:[P00533 DrugBank 1 0.06

DB16101 Baicalein O=c1cc(-c2ccccc2)oc2cc(O)[#6]1:[#6]:[P00533 DrugBank 1 0.06

DB01698 Rutin CC1OC(OCC2OC(Oc3c(-c4cc

[#6]1:[#6]:[P00533 DrugBank 1 0.05

DB13983 5,7,2′-tr COc1c(O)c(OC)c2oc(-c3ccc [#6]1:[#6]:[P00533 DrugBank 1 0.05

DB07795 Fisetin O=c1c(O)c(-c2ccc(O)c(O)c2 [#6]1:[#6]:[P00533 DrugBank 1 0.04

DB12665 IsoquercetiO=c1c(OC2OC(CO)C(O)C(O)C
[#6]1:[#6]:[P00533 DrugBank 1 0.04

DB01852 KaempheroO=c1c(O)c(-c2ccc(O)cc2)oc [#6]1:[#6]:[P00533 DrugBank 1 0.03

DB12058 RecoflavonCOc1ccc(-c2cc(=O)c3c(OC) [#6]1:[#6]:[P00533 DrugBank 1 0.03

DB16403 Isoquercitr O=c1c(OC2OC(C(O)CO)C(O)C

[#6]1:[#6]:[P00533 DrugBank 1 0.03

DB01838 6,4'-DihydrCc1c(-c2cc(Br)c(O)c(Br)c2) [#6]1:[#6]:[P00533 DrugBank 1 0.02

DB03496 Alvocidib CN1CCC(c2c(O)cc(O)c3c(=O

[#6]1:[#6]:[P00533 DrugBank 1 0.01

DB06732 beta-NaphtO=c1cc(-c2ccccc2)oc2ccc3c[#6]1:[#6]:[P00533 DrugBank 1 0

DB07352 Apigenin O=c1cc(-c2ccc(O)cc2)oc2cc[#6]1:[#6]:[P00533 DrugBank 1 0

DB07453 alpha-NaphO=c1cc(-c2ccccc2)oc2c1ccc[#6]1:[#6]:[P00533 DrugBank 1 0

DB07776 Flavone O=c1cc(-c2ccccc2)oc2ccccc[#6]1:[#6]:[P00533 DrugBank 1 0

DB13333 Efloxate CCOC(=O)COc1ccc2c(=O)cc(

[#6]1:[#6]:[P00533 DrugBank 1 0
DB15581 Chrysin O=c1cc(-c2ccccc2)oc2cc(O)[#6]1:[#6]:[P00533 DrugBank 1 0

DB04474 8-anilinonaO=S(=O)(O)c1cccc2cccc(Nc[#6]1:[#6]:[P00533 DrugBank 1 0.18

DB03982 CompoundO=C(O)C(=O)N(c1ccccc1C(=
5 [#6]1:[#6]:[P00533 DrugBank 1 0.16

DB07295 2-[(7-HYD O=C(O)C(=O)N(c1ccccc1C(=[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB01820 2-{[4-(2-AcCCCCCNC(=O)C(Cc1ccc(N(C
[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB13997 Baloxavir mCOC(=O)OCOc1c2n(ccc1=O[#6]1:[#6]:[P00533 DrugBank 1 0.51

DB15675 Baloxavir O=C1c2c(O)c(=O)ccn2N(C2[#6]1:[#6]:[P00533 DrugBank 1 0.43

DB00343 Diltiazem COc1ccc(C2Sc3ccccc3N(CC[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB09167 Dosulepin CN(C)CCC=C1c2ccccc2CSc[#6]1:[#6]:[P00533 DrugBank 1 0.16

DB13252 TropatepinCN1C2CCC1CC(=C1c3ccccc
[#6]1:[#6]:[P00533 DrugBank 1 0.12

DB12852 MK-0752 O=C(O)CCC1CCC(c2cc(F)ccc

[#6]1:[#6]:[P00533 DrugBank 1 0.05

DB07837 [4-(5-naphtO=C(O)Cc1ccc(-c2c[nH]c3nc[#6]1:[#6]:[P00533 DrugBank 1 0.51

DB08191 4-(5-phenylO=C(O)c1ccc(-c2c[nH]c3ncc[#6]1:[#6]:[P00533 DrugBank 1 0.48

DB08350 5-[3-(2-M COc1ccccc1-c1c[nH]c2ncc(-[#6]1:[#6]:[P00533 DrugBank 1 0.47

DB04338 SB220025 Nc1nccc(-c2c(-c3ccc(F)cc [#6]1:[#6]:[P00533 DrugBank 1 0.34

DB13164 Olmutinib C=CC(=O)Nc1cccc(Oc2nc(N[#6]1:[#6]:[P00533 DrugBank 1 0.92

DB16299 Poseltinib C=CC(=O)Nc1cccc(Oc2nc(N[#6]1:[#6]:[P00533 DrugBank 1 0.87

DB15106 SurufatinibCc1cc2cc(Oc3ccnc(Nc4cccc[#6]1:[#6]:[P00533 DrugBank 1 0.59

DB14839 TOP-1288 C#Cc1cc(Nc2nccc(Oc3ccc( [#6]1:[#6]:[P00533 DrugBank 1 0.46

DB06874 (6-[4-(AM Cc1cc(C#N)cc(C)c1Oc1nc(N[#6]1:[#6]:[P00533 DrugBank 1 0.37

DB06414 Etravirine Cc1cc(C#N)cc(C)c1Oc1nc(N[#6]1:[#6]:[P00533 DrugBank 1 0.36

DB13618 Ipriflavone CC(C)Oc1ccc2c(=O)c(-c3ccc[#6]1:[#6]:[P00533 DrugBank 1 0.13

DB12290 Puerarin O=c1c(-c2ccc(O)cc2)coc2c [#6]1:[#6]:[P00533 DrugBank 1 0.05

DB02115 Daidzin O=c1c(-c2ccc(O)cc2)coc2c [#6]1:[#6]:[P00533 DrugBank 1 0.04

DB15334 Biochanin COc1ccc(-c2coc3cc(O)cc(O [#6]1:[#6]:[P00533 DrugBank 1 0.01

DB01645 Genistein O=c1c(-c2ccc(O)cc2)coc2cc[#6]1:[#6]:[P00533 DrugBank 1 0

DB04202 IsoformonoCOc1ccc2c(=O)c(-c3ccc(O)c[#6]1:[#6]:[P00533 DrugBank 1 0

DB12007 Isoflavone O=c1c(-c2ccccc2)coc2ccccc[#6]1:[#6]:[P00533 DrugBank 1 0

DB13182 Daidzein O=c1c(-c2ccc(O)cc2)coc2cc[#6]1:[#6]:[P00533 DrugBank 1 0

DB15335 FormononeCOc1ccc(-c2coc3cc(O)ccc3 [#6]1:[#6]:[P00533 DrugBank 1 0

DB08057 N-(2-chloroCc1cccc(Cl)c1Nc1nc2ccc(N [#6]1:[#6]:[P00533 DrugBank 1 0.87

DB04879 Vatalanib Clc1ccc(Nc2nnc(Cc3ccncc3)[#6]1:[#7]:[P00533 DrugBank 1 0.73

DB01275 HydralazinNNc1nncc2ccccc12 [#6]1:[#7]:[P00533 DrugBank 1 0.68

DB12945 DihydralazNNc1nnc(NN)c2ccccc12 [#6]1:[#7]:[P00533 DrugBank 1 0.68

DB01897 2-(2f-BenzoO=c1[nH][nH]c(=O)c2cc(-[n [#6]1:[#7]:[P00533 DrugBank 1 0.64

DB12550 Taladegib CN(C(=O)c1ccc(F)cc1C(F)( [#6]1:[#7]:[P00533 DrugBank 1 0.59

DB16063 2X-121 O=c1[nH]nc2c3c(cccc13)N [#6]1:[#7]:[P00533 DrugBank 1 0.52

DB11760 Talazopari Cn1ncnc1C1c2n[nH]c(=O)c3c

[#6]1:[#7]:[P00533 DrugBank 1 0.46

DB15637 Fluzoparib O=C(c1cc(Cc2n[nH]c(=O)c3[#6]1:[#7]:[P00533 DrugBank 1 0.46

DB04169 3,5-DiaminNc1cc(N)c2c(=O)[nH][nH]c( [#6]1:[#7]:[P00533 DrugBank 1 0.35

DB02041 Isoluminol Nc1ccc2c(=O)[nH][nH]c(=O)[#6]1:[#7]:[P00533 DrugBank 1 0.23

DB13349 Talastine CN(C)CCn1nc(Cc2ccccc2)c [#6]1:[#7]:[P00533 DrugBank 1 0.21

DB00972 Azelastine CN1CCCC(n2nc(Cc3ccc(Cl)[#6]1:[#7]:[P00533 DrugBank 1 0.2

DB09074 Olaparib O=C(c1cc(Cc2n[nH]c(=O)c [#6]1:[#7]:[P00533 DrugBank 1 0.2

DB08058 4-[3-(1,4-d O=C(c1cc(Cc2n[nH]c(=O)c [#6]1:[#7]:[P00533 DrugBank 1 0.19

DB07307 N-cycloprop
Cc1ccc(C(=O)NC2CC2)cc1-c[#6]1:[#7]:[P00533 DrugBank 1 0.13

DB12806 GSK-1004 O=c1c2ccccc2c(Cc2ccc(C [#6]1:[#7]:[P00533 DrugBank 1 0.13

DB03421 2-PhenethyO=c1[nH]n(CCc2ccccc2)c(= [#6]1:[#7]:[P00533 DrugBank 1 0.1

DB08772 ZopolrestatO=C(O)Cc1nn(Cc2nc3cc(C(F)
[#6]1:[#7]:[P00533 DrugBank 1 0.08

DB06740 BW-A 58CCC(C)(C)C1CCC(C2=C(O)C[#6]1=[#6]-[P00533 DrugBank 1 0.26

DB01022 Phylloquin CC(=CCC1=C(C)C(=O)c2cc[#6]1=[#6]-[P00533 DrugBank 1 0.23

DB12148 Menatetre CC(C)=CCCC(C)=CCCC(C)=[#6]1=[#6]-[P00533 DrugBank 1 0.23

DB13075 MenaquinoCC(C)=CCCC(C)=CCCC(C) [#6]1=[#6]-[P00533 DrugBank 1 0.23

DB14936 MenaquinoCC(C)=CCCC(C)=CCCC(C)=[#6]1=[#6]-[P00533 DrugBank 1 0.23

DB15381 MenaquinoCC(C)=CCCC(C)=CCCC(C)=[#6]1=[#6]-[P00533 DrugBank 1 0.23

DB01117 AtovaquonO=C1C(O)=C(C2CCC(c3ccc([#6]1=[#6]-[P00533 DrugBank 1 0.13

DB12467 TU-100 CN1C2C(=O)c3ccccc3C1C1[#6]1=[#6]-[P00533 DrugBank 1 0.13

DB07714 6-(3-METHCC1=C(CCCCCC(=O)O)C(=O
[#6]1=[#6]-[P00533 DrugBank 1 0.12

DB04220 CGP 4832 COC1/C=C\OC2(C)Oc3c(C) [#6]1=[#6]-[P00533 DrugBank 1 0.1

DB01668 NanaomyciCC1OC2CC(=O)OC2C2=C1C(
[#6]1=[#6]-[P00533 DrugBank 1 0.08

DB02521 Flaviolin O=C1C(O)=CC(=O)c2c(O)cc[#6]1=[#6]-[P00533 DrugBank 1 0.07

DB00170 MenadioneCC1=CC(=O)c2ccccc2C1=O[#6]1=[#6]-[P00533 DrugBank 1 0.05

DB04744 Lawsone O=C1C=C(O)C(=O)c2ccccc2[#6]1=[#6]-[P00533 DrugBank 1 0.05

DB07669 2,3-DimethCC1=C(C)C(=O)c2ccccc2C [#6]1=[#6]-[P00533 DrugBank 1 0.05

DB16087 Alflutinib C=CC(=O)Nc1cc(Nc2nccc(-c[#6]:[#6](:, P00533 DrugBank 1 0.92

DB08005 4-{[5-chlor CCNC(=O)N1CCC(Nc2ncc(Cl)

[#6]:[#6](:, P00533 DrugBank 1 0.65

DB08349 N-cycloprop
Cc1ccc(C(=O)NC2CC2)cc1Nc
[#6]:[#6](:, P00533 DrugBank 1 0.65

DB14787 BMS-8302COc1cc(-n2cnc3cc(-c4ccc( [#6]:[#6](:, P00533 DrugBank 1 0.56

DB12549 PyrazoloacCOc1ccc2c(c1)-c1nn(CCCN(C
[#6]:[#6](:, P00533 DrugBank 1 0.41

DB01405 TemafloxacCC1CN(c2cc3c(cc2F)c(=O)c[#6]:[#6](:, P00533 DrugBank 1 0.39

DB11491 SarafloxaciO=C(O)c1cn(-c2ccc(F)cc2) [#6]:[#6](:, P00533 DrugBank 1 0.37

DB12147 Erdafitinib COc1cc(OC)cc(N(CCNC(C)C)

[#6]:[#6](:, P00533 DrugBank 1 0.37
DB14876 TAS-116 CCc1cc(C(N)=O)ccc1-n1nc(C
[#6]:[#6](:, P00533 DrugBank 1 0.31

DB11689 Selumetini Cn1cnc2c(F)c(Nc3ccc(Br)c [#6]:[#6](:, P00533 DrugBank 1 0.3

DB11967 BinimetinibCn1cnc2c(F)c(Nc3ccc(Br)c [#6]:[#6](:, P00533 DrugBank 1 0.3

DB00680 Moricizine CCOC(=O)Nc1ccc2c(c1)N( [#6]:[#6](:, P00533 DrugBank 1 0.26

DB13645 Ethacizine CCOC(=O)Nc1ccc2c(c1)N(C[#6]:[#6](:, P00533 DrugBank 1 0.26

DB07712 3-ETHYL-2CCc1c2cc(O)ccc2nn1-c1ccc[#6]:[#6](:, P00533 DrugBank 1 0.25

DB11793 Niraparib NC(=O)c1cccc2cn(-c3ccc(C [#6]:[#6](:, P00533 DrugBank 1 0.25

DB11511 Difloxacin CN1CCN(c2cc3c(cc2F)c(=O)[#6]:[#6](:, P00533 DrugBank 1 0.24

DB13190 EthacridineCCOc1ccc2[nH]c3cc(N)ccc3[#6]:[#6](:, P00533 DrugBank 1 0.24

DB00970 DactinomycCc1c2oc3c(C)ccc(C(=O)NC [#6]:[#6](:, P00533 DrugBank 1 0.22

DB13635 Tiracizine CCOC(=O)Nc1ccc2c(c1)N(C[#6]:[#6](:, P00533 DrugBank 1 0.22

DB07708 3-CHLOROOc1ccc(-n2nc3ccc(O)cc3c2C[#6]:[#6](:, P00533 DrugBank 1 0.2

DB08557 2-[(2-methoCOCCNc1cc(-n2c3c(c4cccc [#6]:[#6](:, P00533 DrugBank 1 0.17

DB13326 Euflavine C[n+]1c2cc(N)ccc2cc2ccc(N[#6]:[#6](:, P00533 DrugBank 1 0.17

DB13330 AmeziniumCOc1cc(N)cn[n+]1-c1ccccc1[#6]:[#6](:, P00533 DrugBank 1 0.17

DB13373 Acriflavine C[n+]1c2cc(N)ccc2cc2ccc(N[#6]:[#6](:, P00533 DrugBank 1 0.17

DB15945 PirenoxineO=C(O)c1cc(O)c2c3nc4cccc[#6]:[#6](:, P00533 DrugBank 1 0.15

DB01123 Proflavine Nc1ccc2cc3ccc(N)cc3nc2c1 [#6]:[#6](:, P00533 DrugBank 1 0.14

DB08527 1-[4-(AM NC(=O)c1nn(-c2ccc(S(N)(=O[#6]:[#6](:, P00533 DrugBank 1 0.05

DB06834 N-(2-hydroxCn1cc(-c2cc3cccnc3[nH]2)c [#6]:[#6]:[#P00533 DrugBank 1 0.43

DB07757 (9aS)-4-br CCCCC12CCC(=O)C(Br)=C1

[#6]=[#6]1-[P00533 DrugBank 1 0.18

DB12590 Indiplon CC(=O)N(C)c1cccc(-c2ccnc3[#7](:[#6]:, P00533 DrugBank 1 0.54

DB00962 Zaleplon CCN(C(C)=O)c1cccc(-c2ccn[#7](:[#6]:, P00533 DrugBank 1 0.47

DB14768 PF-064599C=CC(=O)N1CC(COc2nc(Nc3c
[#7]1-[#6]-[P00533 DrugBank 1 0.77

DB09053 Ibrutinib C=CC(=O)N1CCCC(n2nc(-c3c

[#7]1-[#6]-[P00533 DrugBank 1 0.94

DB03267 1-Allyl-3-B C=CCn1c(=O)c2[nH]c(Cc3c [#8]=[#6]-[#P00533 DrugBank 1 0.89

DB07801 N-butyl-3- CCCCNC(=O)c1cccc(NC(=O[#8]=[#6]-[#P00533 DrugBank 1 0.72

DB01166 Cilostazol O=C1CCc2cc(OCCCCc3nnn[#8]=[#6]-[#P00533 DrugBank 1 0.7

DB02008 1-(2-FluoroCCCCn1c(=O)n(Cc2ccccc2F)
[#8]=[#6]-[#P00533 DrugBank 1 0.7

DB14895 Vibegron O=C(Nc1ccc(CC2CCC(C(O)c

[#8]=[#6]-[#P00533 DrugBank 1 0.68

DB14860 Ensartinib CC1CN(C(=O)c2ccc(NC(=O)c

[#8]=[#6]-[#P00533 DrugBank 1 0.67

DB00246 Ziprasidon O=C1Cc2cc(CCN3CCN(c4nsc

[#8]=[#6]-[#P00533 DrugBank 1 0.66

DB09042 Tedizolid Cn1nnc(-c2ccc(-c3ccc(N4C [#8]=[#6]-[#P00533 DrugBank 1 0.66

DB12424 MK-3207 O=C(CN1C(=O)C2(CCCC2)NC

[#8]=[#6]-[#P00533 DrugBank 1 0.66

DB13104 X-396 CC(Oc1cc(C(=O)Nc2ccc(C(=[#8]=[#6]-[#P00533 DrugBank 1 0.65

DB01254 Dasatinib Cc1nc(Nc2ncc(C(=O)Nc3c(C[#8]=[#6]-[#P00533 DrugBank 1 0.64

DB12796 MRX-I O=C1C=CN(c2c(F)cc(N3CC([#8]=[#6]-[#P00533 DrugBank 1 0.64

DB11853 Relugolix CONC(=O)Nc1ccc(-c2sc3c(c[#8]=[#6]-[#P00533 DrugBank 1 0.61

DB12778 Rivipansel CC1OC(OC2C(NC(=O)c3cc(=

[#8]=[#6]-[#P00533 DrugBank 1 0.61

DB08875 CabozantinCOc1cc2nccc(Oc3ccc(NC(=O
[#8]=[#6]-[#P00533 DrugBank 1 0.6

DB04057 N-[4-([(2-A NC(=O)c1ncn(C2OC(COP(=O

[#8]=[#6]-[#P00533 DrugBank 1 0.56

DB07974 1-{2-[(4- CC(C)N1CCC(NC(=O)c2cc3c

[#8]=[#6]-[#P00533 DrugBank 1 0.56

DB13093 TAK-593 Cc1cc(C(=O)Nc2cc(Oc3ccc4[#8]=[#6]-[#P00533 DrugBank 1 0.55

DB12526 BatefenteroCOc1cc(NC(=O)CCN2CCC(OC(
[#8]=[#6]-[#P00533 DrugBank 1 0.54

DB14070 HM-30181 COc1cc2c(cc1OC)CN(CCc1cc

[#8]=[#6]-[#P00533 DrugBank 1 0.54
DB15391 ElenbecestCC1OCC2(c3cc(NC(=O)c4cn[#8]=[#6]-[#P00533 DrugBank 1 0.53

DB16637 KW-2450 frCc1ccsc1C(=O)Nc1cc(CN2C[#8]=[#6]-[#P00533 DrugBank 1 0.53

DB04154 N-Methyl-N-
CC(=O)N(C)c1cccc(-c2nnc3c[#8]=[#6]-[#P00533 DrugBank 1 0.49

DB06435 TarazepideCN1C(=O)C(NC(=O)c2cc3cc[#8]=[#6]-[#P00533 DrugBank 1 0.49

DB07882 4-{4-[2- CC12CCC3C(C)(CCC[N+]3([[#8]=[#6]-[#P00533 DrugBank 1 0.49

DB07397 (5S)-5-(2-aNC(=O)CC1CCCc2sc3nc(C(=
[#8]=[#6]-[#P00533 DrugBank 1 0.47

DB06494 Sufugolix CONC(=O)Nc1ccc(-c2sc3c(c2

[#8]=[#6]-[#P00533 DrugBank 1 0.45

DB06699 Degarelix CC(=O)NC(Cc1ccc2ccccc2c[#8]=[#6]-[#P00533 DrugBank 1 0.45

DB11977 Golvatinib CN1CCN(C2CCN(C(=O)Nc3cc

[#8]=[#6]-[#P00533 DrugBank 1 0.45
DB14887 PF-046201Nc1ncnc2c1C(=O)N(c1ccc( [#8]=[#6]-[#P00533 DrugBank 1 0.45

DB14890 Obicetrapi CCOC(=O)N1c2ccc(C(F)(F)F[#8]=[#6]-[#P00533 DrugBank 1 0.44

DB15245 Olorofim Cc1cc(-c2ccccc2)c(C(=O)C [#8]=[#6]-[#P00533 DrugBank 1 0.44

DB12307 Foretinib COc1cc2c(Oc3ccc(NC(=O)C[#8]=[#6]-[#P00533 DrugBank 1 0.43

DB11701 AmenameviCc1cccc(C)c1N(CC(=O)Nc1c[#8]=[#6]-[#P00533 DrugBank 1 0.42

DB12547 LY-288672NC1=NC2(c3cc(NC(=O)c4cc[#8]=[#6]-[#P00533 DrugBank 1 0.42

DB15307 AtabecestaCC1(c2cc(NC(=O)c3ccc(C# [#8]=[#6]-[#P00533 DrugBank 1 0.41

DB12997 Brilacidin N=C(N)NCCCCC(=O)Nc1cc(C

[#8]=[#6]-[#P00533 DrugBank 1 0.4

DB14569 Tedizolid Cn1nnc(-c2ccc(-c3ccc(N4C [#8]=[#6]-[#P00533 DrugBank 1 0.4

DB07622 1-(3-(2,4 Cc1nc(C)c(-c2[nH]nc3c2C( [#8]=[#6]-[#P00533 DrugBank 1 0.39

DB07792 (S)-2-CHL O=C(CN1C(=O)C(NC(=O)c2c

[#8]=[#6]-[#P00533 DrugBank 1 0.39

DB15257 Milademet CC1(C)CCC2(CC1)NC(C(=O)

[#8]=[#6]-[#P00533 DrugBank 1 0.39

DB11847 Cadazolid O=C(O)c1cn(C2CC2)c2cc(N[#8]=[#6]-[#P00533 DrugBank 1 0.38

DB07174 6-(2,4-DI CCc1nc(N)nc(N)c1-c1ccc2c [#8]=[#6]-[#P00533 DrugBank 1 0.37

DB13643 Loprazola CN1CCN(C=C2N=C3CN=C(c4c

[#8]=[#6]-[#P00533 DrugBank 1 0.37

DB06899 N-{2-[6-( CCc1nc(N)nc(N)c1-c1ccc2c [#8]=[#6]-[#P00533 DrugBank 1 0.36

DB16256 Ningetinib Cc1c(C(=O)Nc2ccc(Oc3ccnc4

[#8]=[#6]-[#P00533 DrugBank 1 0.36

DB07059 N-{2-[6-( CCc1nc(N)nc(N)c1-c1ccc2c [#8]=[#6]-[#P00533 DrugBank 1 0.35

DB07872 5-chloro-N-O=C(CN1CCC(NC(=O)c2ccc(C
[#8]=[#6]-[#P00533 DrugBank 1 0.35

DB05913 OSI-930 O=C(Nc1ccc(OC(F)(F)F)cc1[#8]=[#6]-[#P00533 DrugBank 1 0.34

DB08143 5-CHLORO-
O=C(CN1CC(F)C(NC(=O)c2cc
[#8]=[#6]-[#P00533 DrugBank 1 0.34

DB15791 MK-0668 N#Cc1cccc(S(=O)(=O)N2CC[#8]=[#6]-[#P00533 DrugBank 1 0.34

DB16009 LX-7101 Cc1c[nH]c2ncnc(N3CCC(CN)

[#8]=[#6]-[#P00533 DrugBank 1 0.34

DB16312 TNP-2092 COC1/C=C\OC2(C)Oc3c(C)c[#8]=[#6]-[#P00533 DrugBank 1 0.34

DB07402 AzapropazC=CCC1C(=O)N2C(N(C)C)=[#8]=[#6]-[#P00533 DrugBank 1 0.33

DB07608 N-(5-{[(2S NCCC(C(=O)Nc1ccc2[nH]nc([#8]=[#6]-[#P00533 DrugBank 1 0.33

DB11712 TezacaftorCC(C)(CO)c1cc2cc(NC(=O)C[#8]=[#6]-[#P00533 DrugBank 1 0.33

DB12285 VerubecestCN1C(N)=NC(C)(c2cc(NC(=O
[#8]=[#6]-[#P00533 DrugBank 1 0.33

DB13019 Henatinib Cc1c(C=C2C(=O)Nc3ccc(F) [#8]=[#6]-[#P00533 DrugBank 1 0.33

DB00541 Vincristine CCC1(O)CC2CN(CCc3c([nH][#8]=[#6]-[#P00533 DrugBank 1 0.32

DB07618 2-(4-(AMI NCC1CCN(CC(=O)Nc2cccc3[#8]=[#6]-[#P00533 DrugBank 1 0.32

DB15189 Birabresib Cc1sc2c(c1C)C(c1ccc(Cl)cc [#8]=[#6]-[#P00533 DrugBank 1 0.32

DB07875 5-Chloro-thO=C(CN1CC(O)C(NC(=O)c2cc
[#8]=[#6]-[#P00533 DrugBank 1 0.31

DB08289 N-(PARA- O=C(O)CCCC(=O)Nc1ccc(CC

[#8]=[#6]-[#P00533 DrugBank 1 0.31

DB15674 SisunatovirNCc1ccc2c(c1)nc(CN1C(=O)[#8]=[#6]-[#P00533 DrugBank 1 0.31

DB11906 Acyline CC(=O)Nc1ccc(CC(NC(=O)C[#8]=[#6]-[#P00533 DrugBank 1 0.3

DB12006 BMS-9060CN1C(=O)C(NC(=O)C(CCC(F)
[#8]=[#6]-[#P00533 DrugBank 1 0.29

DB12645 Givinostat CCN(CC)Cc1ccc2cc(COC(=O

[#8]=[#6]-[#P00533 DrugBank 1 0.29

DB14986 LinrodostatCC(C(=O)Nc1ccc(Cl)cc1)C1[#8]=[#6]-[#P00533 DrugBank 1 0.29

DB07020 N-{3-[5-(1HO=C(Nc1cccc(-c2n[nH]c3ccc[#8]=[#6]-[#P00533 DrugBank 1 0.28

DB09172 Brifentanil CCn1nnn(CCN2CCC(N(C(=O

[#8]=[#6]-[#P00533 DrugBank 1 0.28

DB11380 Cambendaz
CC(C)OC(=O)Nc1ccc2[nH]c([#8]=[#6]-[#P00533 DrugBank 1 0.28

DB12260 Radiprodil O=C(Nc1ccc2[nH]c(=O)oc2c[#8]=[#6]-[#P00533 DrugBank 1 0.28

DB01489 CamazepaCN(C)C(=O)OC1N=C(c2cccc[#8]=[#6]-[#P00533 DrugBank 1 0.27

DB06281 TorcetrapibCCOC(=O)N1c2ccc(C(F)(F)F[#8]=[#6]-[#P00533 DrugBank 1 0.27

DB11741 Famitinib CCN(CC)CCN1CCc2[nH]c(C=
[#8]=[#6]-[#P00533 DrugBank 1 0.27

DB11905 Sutezolid CC(=O)NCC1CN(c2ccc(N3C[#8]=[#6]-[#P00533 DrugBank 1 0.27

DB12694 CE-326597CC(C)N(Cc1ccccc1)C(=O)CN
[#8]=[#6]-[#P00533 DrugBank 1 0.27

DB13931 Netarsudil Cc1ccc(C(=O)OCc2ccc(C(CN

[#8]=[#6]-[#P00533 DrugBank 1 0.27

DB04088 2-[{4-[(2S) C=CCOC(=O)NC(Cc1ccc(N(C

[#8]=[#6]-[#P00533 DrugBank 1 0.26

DB04330 Bilh 434 Cc1ccc2c(c1)C(=O)C1(OC(c3

[#8]=[#6]-[#P00533 DrugBank 1 0.26

DB04850 Posizolid O=C(C(O)CO)N1CC=C(c2c([#8]=[#6]-[#P00533 DrugBank 1 0.26

DB11758 Cenicriviro CCCCOCCOc1ccc(-c2ccc3c([#8]=[#6]-[#P00533 DrugBank 1 0.26

DB13126 BMS-9861Cc1cccc2c1NC(=O)C(NC(=O)
[#8]=[#6]-[#P00533 DrugBank 1 0.26
DB00625 Efavirenz O=C1Nc2ccc(Cl)cc2C(C#CC2
[#8]=[#6]-[#P00533 DrugBank 1 0.25

DB01045 Rifampicin COC1/C=C\OC2(C)Oc3c(C)c[#8]=[#6]-[#P00533 DrugBank 1 0.25

DB01201 Rifapentin COC1/C=C\OC2(C)Oc3c(C)c[#8]=[#6]-[#P00533 DrugBank 1 0.25

DB05932 Denibulin COC(=O)Nc1nc2cc(Sc3ccc(N

[#8]=[#6]-[#P00533 DrugBank 1 0.25

DB08123 N-methyl-{4CNS(=O)(=O)Cc1ccc(NN=C2[#8]=[#6]-[#P00533 DrugBank 1 0.25

DB12339 Radezolid CC(=O)NCC1CN(c2ccc(-c3cc

[#8]=[#6]-[#P00533 DrugBank 1 0.25

DB15213 25-desacety
COC1/C=C\OC2(C)Oc3c(C)c[#8]=[#6]-[#P00533 DrugBank 1 0.25

DB03524 N-[3-[4-(3- NCCCN1CCN(CCCNC(=O)c2c

[#8]=[#6]-[#P00533 DrugBank 1 0.24

DB07315 5-chloro-N-O=C(Nc1ccc(C(O)CO)cc1)c1c
[#8]=[#6]-[#P00533 DrugBank 1 0.24
DB09169 3-AllylfentaC=CCC1CN(CCc2ccccc2)CC[#8]=[#6]-[#P00533 DrugBank 1 0.24

DB12462 Ralinepag O=C(O)COCC1CCC(COC(=O)N

[#8]=[#6]-[#P00533 DrugBank 1 0.24

DB15610 (4-(trifluo NC(=O)Nc1ccc(OC(F)(F)F)c[#8]=[#6]-[#P00533 DrugBank 1 0.24

DB16242 CC-11050 CCOc1cc(C(CS(C)(=O)=O)N[#8]=[#6]-[#P00533 DrugBank 1 0.24

DB00349 Clobazam CN1C(=O)CC(=O)N(c2ccccc2

[#8]=[#6]-[#P00533 DrugBank 1 0.23

DB00601 Linezolid CC(=O)NCC1CN(c2ccc(N3C[#8]=[#6]-[#P00533 DrugBank 1 0.23

DB02036 2-(3,4-Dih O=C(CC1Sc2ccccc2NC1=O[#8]=[#6]-[#P00533 DrugBank 1 0.23

DB03583 (2E,3S)-3-hCC1(O)C(=C2C(=O)Nc3ccc([#8]=[#6]-[#P00533 DrugBank 1 0.23

DB05422 OPC-1452COc1cccc2c1CCC(=O)N2CC[#8]=[#6]-[#P00533 DrugBank 1 0.23

DB07884 OpaviralineCCC1C(=O)Nc2ccc(F)cc2N1[#8]=[#6]-[#P00533 DrugBank 1 0.23

DB12306 CipargaminCC1Cc2c([nH]c3cc(Cl)c(F)c [#8]=[#6]-[#P00533 DrugBank 1 0.23

DB12643 NelivaptanCOc1ccc(S(=O)(=O)N2C(=O)[#8]=[#6]-[#P00533 DrugBank 1 0.23

DB13077 LCB01-037CN1CCN(c2ccc(N3CC(CO)O[#8]=[#6]-[#P00533 DrugBank 1 0.23

DB00564 CarbamazeNC(=O)N1c2ccccc2C=Cc2cc[#8]=[#6]-[#P00533 DrugBank 1 0.22

DB00802 Alfentanil CCC(=O)N(c1ccccc1)C1(C [#8]=[#6]-[#P00533 DrugBank 1 0.22

DB01126 Dutasterid CC12C=CC(=O)NC1CCC1C2CC

[#8]=[#6]-[#P00533 DrugBank 1 0.22

DB06228 RivaroxabaO=C(NCC1CN(c2ccc(N3CCOC
[#8]=[#6]-[#P00533 DrugBank 1 0.22

DB13335 PinazepamC#CCN1C(=O)CN=C(c2ccccc
[#8]=[#6]-[#P00533 DrugBank 1 0.22
DB00690 Flurazepa CCN(CC)CCN1C(=O)CN=C(c2
[#8]=[#6]-[#P00533 DrugBank 1 0.21

DB01588 Prazepam O=C1CN=C(c2ccccc2)c2cc([#8]=[#6]-[#P00533 DrugBank 1 0.21

DB07066 2-CHLORO-
O=C(NC1Cc2ccccc2NC1=O)c1
[#8]=[#6]-[#P00533 DrugBank 1 0.21

DB08021 5-bromo-N-(
C#CCN1CCN(c2c(Cl)cccc2N[#8]=[#6]-[#P00533 DrugBank 1 0.21

DB08124 3-{[(2,2-di O=C1Nc2ccc(-c3cnco3)cc2 [#8]=[#6]-[#P00533 DrugBank 1 0.21

DB14185 AripiprazoleCCCCCCCCCCCC(=O)OCN1C(
[#8]=[#6]-[#P00533 DrugBank 1 0.21

DB01238 AripiprazolO=C1CCc2ccc(OCCCCN3CCN
[#8]=[#6]-[#P00533 DrugBank 1 0.2

DB08169 (2Z)-N-bip N#CC(C(=O)Nc1ccc(-c2cccc[#8]=[#6]-[#P00533 DrugBank 1 0.2

DB08348 N~2~,N~2 CN(C)CC(=O)Nc1ccc2[nH]c([#8]=[#6]-[#P00533 DrugBank 1 0.2

DB08582 N-(4-bromo-
CC1CC(C)CN(C(=O)c2cc(B [#8]=[#6]-[#P00533 DrugBank 1 0.2

DB09080 Olodaterol COc1ccc(CC(C)(C)NCC(O)c[#8]=[#6]-[#P00533 DrugBank 1 0.2

DB09170 β-HydroxytCCC(=O)N(c1ccccc1)C1CCN[#8]=[#6]-[#P00533 DrugBank 1 0.2

DB12016 PonesimodCCCN=C1SC(=Cc2ccc(OCC(O
[#8]=[#6]-[#P00533 DrugBank 1 0.2

DB13794 DimethoxaCN(C)CCOCCOC(=O)N1c2cc
[#8]=[#6]-[#P00533 DrugBank 1 0.2

DB15224 LisavanbulN#CCCNc1nonc1-c1nc2cccc[#8]=[#6]-[#P00533 DrugBank 1 0.2

DB16323 SatoreotideCC(O)C1NC(=O)C(CCCCN)NC
[#8]=[#6]-[#P00533 DrugBank 1 0.2

DB01570 OhmefentaCCC(=O)N(c1ccccc1)C1CCN[#8]=[#6]-[#P00533 DrugBank 1 0.19

DB04014 Alsterpaull O=C1Cc2c([nH]c3ccc([N+](=[#8]=[#6]-[#P00533 DrugBank 1 0.19

DB07783 1-((1R)-1 NC(=O)c1cn(C(CO)CCn2ccc[#8]=[#6]-[#P00533 DrugBank 1 0.19

DB08068 N-[4-CHLOO=C(Nc1ccc(Cl)c(COc2ccc [#8]=[#6]-[#P00533 DrugBank 1 0.19

DB13672 DimethylamCC(C(=O)N1c2ccccc2Sc2cc[#8]=[#6]-[#P00533 DrugBank 1 0.19

DB13837 DoxefazepO=C1C(O)N=C(c2ccccc2F)c[#8]=[#6]-[#P00533 DrugBank 1 0.19

DB14715 CinazepamO=C(O)CCC(=O)OC1N=C(c2c
[#8]=[#6]-[#P00533 DrugBank 1 0.19

DB14923 SatavaptanCCOc1ccc2c(c1)C1(CCC(O [#8]=[#6]-[#P00533 DrugBank 1 0.19

DB16085 Aganepag C
i CCCCC(O)c1ccc(N2C(=O)[#8]=[#6]-[#P00533 DrugBank 1 0.19

DB16184 HetrombopCC1=NN(c2ccc3c(c2)CCCC3[#8]=[#6]-[#P00533 DrugBank 1 0.19

DB16215 LapaquistaCOc1cccc(C2OC(CC(=O)N3C
[#8]=[#6]-[#P00533 DrugBank 1 0.19
DB00521 Carteolol CC(C)(C)NCC(O)COc1cccc [#8]=[#6]-[#P00533 DrugBank 1 0.18

DB00587 Cinalukast CCC(CC)(CC(=O)Nc1cccc(C[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB01453 Beta-hydroCCC(=O)N(c1ccccc1)C1CCN[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB01476 Haloxazol O=C1CN2CCOC2(c2ccccc2F)

[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB03549 Biotinyl P-NO=C(CCCCC1SCC2NC(=O)NC2

[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB06525 GanstigminCCc1ccccc1NC(=O)Oc1ccc2[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB07031 3-Fluoro-4-CC1(C)CCC(C)(C)c2cc(C(O)[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB07294 3-fluoro-4- CC1(C)CCC(C)(C)c2cc(C(O)[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB08499 N-[3-(2-flu O=C(CCC(=O)Nc1ccc2c(c1)[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB08682 1-METHYLCC1=C(C(=O)Nc2ccc(Cl)c( [#8]=[#6]-[#P00533 DrugBank 1 0.18

DB08893 MirabegronNc1nc(CC(=O)Nc2ccc(CCNCC
[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB11769 Funapide O=C1N(Cc2ccc(C(F)(F)F)o2[#8]=[#6]-[#P00533 DrugBank 1 0.18

DB01076 AtorvastatiCC(C)c1c(C(=O)Nc2ccccc2)[#8]=[#6]-[#P00533 DrugBank 1 0.17

DB02519 Indirubin-5O=C1Nc2ccc(S(=O)(=O)O)c[#8]=[#6]-[#P00533 DrugBank 1 0.17

DB05562 Naluzotan CC(=O)Nc1cccc(N2CCN(CC[#8]=[#6]-[#P00533 DrugBank 1 0.17

DB05626 RetaspimycC=CCNc1c(O)cc2c(O)c1CC([#8]=[#6]-[#P00533 DrugBank 1 0.17

DB06605 Apixaban COc1ccc(-n2nc(C(N)=O)c3 [#8]=[#6]-[#P00533 DrugBank 1 0.17

DB08581 4-[(4-bromoCC1CC(C)CN(C(=O)c2cc(Br[#8]=[#6]-[#P00533 DrugBank 1 0.17

DB12611 PF-477736Cn1cc(-c2[nH]c3cc(NC(=O [#8]=[#6]-[#P00533 DrugBank 1 0.17

DB12977 SimenepagCCCCCC(O)c1ccc(N2C(=O)[#8]=[#6]-[#P00533 DrugBank 1 0.17

DB14575 Eslicarbaz NC(=O)N1c2ccccc2CC(O)c2[#8]=[#6]-[#P00533 DrugBank 1 0.17

DB15024 Aparareno CC1(C)Oc2cc(NS(C)(=O)=O)[#8]=[#6]-[#P00533 DrugBank 1 0.17

DB00776 OxcarbazeNC(=O)N1c2ccccc2CC(=O)c[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB01558 Bromazep O=C1CN=C(c2ccccn2)c2cc(B

[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB01587 KetazolamCC1=CC(=O)N2CC(=O)N(C)c
[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB05676 ApremilastCCOc1cc(C(CS(C)(=O)=O)N[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB07784 [4-(4-ACE CC(=O)Nc1ccc(N2C(=O)C3 [#8]=[#6]-[#P00533 DrugBank 1 0.16

DB07793 (2S)-N-[( NC(=O)CN1C(=O)C(NC(=O)[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB08494 S-{2-[(2-chCc1ccc2c(c1)CCCN2C(=O)S[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB09226 Brilaroxazi O=C1COc2ccc(OCCCCN3CCN

[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB09313 Ioxaglic acCNC(=O)c1c(I)c(C(=O)NCC(=

[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB11870 RG-4733 CC(C)(C(=O)NCC(F)(F)C(F)[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB11946 AZD-1981 CC(=O)Nc1cccc2c1c(Sc1ccc[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB12541 SAR-40583CC(C)(C)CC1NC(C(=O)NC2C
[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB13625 Carbuterol CC(C)(C)NCC(O)c1ccc(O)c([#8]=[#6]-[#P00533 DrugBank 1 0.16

DB13806 LinopirdineO=C1N(c2ccccc2)c2ccccc2C[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB15040 TP-271 CN(C)C1C(O)=C(C(N)=O)C([#8]=[#6]-[#P00533 DrugBank 1 0.16

DB15207 EsaxerenoCc1c(C(=O)Nc2ccc(S(C)(=O)[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB16054 INCB-0576CN1C(=O)C(C)(C)Oc2c(-c3cn
[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB16700 RuncaciguaCC(C(C(=O)Nc1cc(C(CC(=O)
[#8]=[#6]-[#P00533 DrugBank 1 0.16

DB00542 BenazeprilCCOC(=O)C(CCc1ccccc1)N[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB01439 3-MethylthiCCC(=O)N(c1ccccc1)C1CC [#8]=[#6]-[#P00533 DrugBank 1 0.15

DB01553 Cloxazola O=C1CN2CCOC2(c2ccccc2Cl

[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB01594 Cinolazep N#CCCN1C(=O)C(O)N=C(c2c

[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB01595 NitrazepamO=C1CN=C(c2ccccc2)c2cc([[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB01938 L-Histidin NC(Cc1cnc[nH]1)C(=O)Nc1c[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB03737 4-((3r,4s,5 COc1cc[nH]c1C=C1C(=O)Nc[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB05461 OPC-2832CCC(=O)Nc1c(C)cc(C(=O)N[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB06991 N-[2-methyCCC(C)Nc1ncc(C(=O)Nc2cc[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB07432 [[(3R,4R,5 CCCC(=O)NC1C(=NOC(=O)N

[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB07680 [(1S)-1-( O=C(Nc1ccc2ccccc2c1)C(c1c

[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB07885 Talviraline COc1ccc2c(c1)N(C(=O)OC( [#8]=[#6]-[#P00533 DrugBank 1 0.15

DB08126 3-{[4-([ami N=C(N)NS(=O)(=O)c1ccc(N [#8]=[#6]-[#P00533 DrugBank 1 0.15

DB08676 (20S)-19, N#CC1CC=C2CC1Oc1ccc3cc

[#8]=[#6]-[#P00533 DrugBank 1 0.15
DB09137 TechnetiumCc1cc(C)c(NC(=O)CN(CC(=[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB12574 LY-295501O=C(Nc1ccc(Cl)c(Cl)c1)NS( [#8]=[#6]-[#P00533 DrugBank 1 0.15

DB15247 Vorolanib Cc1[nH]c(C=C2C(=O)Nc3cc[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB15779 MebrofeninCc1cc(C)c(NC(=O)CN(CC(=[#8]=[#6]-[#P00533 DrugBank 1 0.15

DB00961 MepivacainCc1cccc(C)c1NC(=O)C1CC [#8]=[#6]-[#P00533 DrugBank 1 0.14

DB01097 LeflunomidCc1oncc1C(=O)Nc1ccc(C(F)[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB01297 Practolol CC(=O)Nc1ccc(OCC(O)CNC(

[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB01470 alpha-methy
CCC(=O)N(c1ccccc1)C1CCN[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB01535 CarfentanilCCC(=O)N(c1ccccc1)C1(C( [#8]=[#6]-[#P00533 DrugBank 1 0.14

DB01948 1-(2,6-DichO=C1CCc2c(-c3ccc(F)cc3F)[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB06620 Aplindore O=C1Cc2c(ccc3c2OC(CNCc[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB07132 1-{2-OXO- CC(C1=c2cc(NC(N)=O)ccc2[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB07192 (3S)-N-( O=C(Nc1cccc(Br)c1)C1CC [#8]=[#6]-[#P00533 DrugBank 1 0.14

DB07227 L-778123 N#Cc1ccc(Cn2cncc2CN2CCN(

[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB08704 [[(3R,4R,5 CCCCC(=O)NC1C(=NOC(=O)

[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB09174 Lofentanil CCC(=O)N(c1ccccc1)C1(C( [#8]=[#6]-[#P00533 DrugBank 1 0.14

DB09180 ThienylfentCCC(=O)N(c1ccccc1)C1CCN[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB09245 ToloxatoneCc1cccc(N2CC(CO)OC2=O)[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB11513 Diperodon O=C(Nc1ccccc1)OCC(CN1C[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB11855 RevefenaciCN(CCN1CCC(OC(=O)Nc2ccc
[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB13741 Ioglycamic O=C(COCC(=O)Nc1c(I)cc(I)c(

[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB13766 LidoflazineCc1cccc(C)c1NC(=O)CN1CC[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB14779 LGD-6972 Cc1cc(C)c(-c2ccc(NC(=O)C([#8]=[#6]-[#P00533 DrugBank 1 0.14

DB15099 GW-46881O=C(O)C1CC(=C2CCN(c3ccc
[#8]=[#6]-[#P00533 DrugBank 1 0.14

DB15360 CarfentanilCCC(=O)N(c1ccccc1)C1(C( [#8]=[#6]-[#P00533 DrugBank 1 0.14

DB00708 Sufentanil CCC(=O)N(c1ccccc1)C1(CO[#8]=[#6]-[#P00533 DrugBank 1 0.13

DB00899 RemifentanCCC(=O)N(c1ccccc1)C1(C [#8]=[#6]-[#P00533 DrugBank 1 0.13

DB01068 ClonazepaO=C1CN=C(c2ccccc2Cl)c2cc(
[#8]=[#6]-[#P00533 DrugBank 1 0.13

DB01545 Ethyl lofla CCOC(=O)C1N=C(c2ccccc2F

[#8]=[#6]-[#P00533 DrugBank 1 0.13

DB02185 2,4-Dihydr COc1ccc2c(c1)OC(O)C(=O) [#8]=[#6]-[#P00533 DrugBank 1 0.13

DB04657 Carboxin CC1=C(C(=O)Nc2ccccc2)S [#8]=[#6]-[#P00533 DrugBank 1 0.13

DB07084 N-(6,7,9,1 CC(=O)Nc1ccc2c(c1)OCC [#8]=[#6]-[#P00533 DrugBank 1 0.13

DB07120 3-Carbamim
NC(N)=NNC(=O)N(c1ccccc1)[#8]=[#6]-[#P00533 DrugBank 1 0.13

DB07266 AKI-001 CCN1C(=O)C(C)(C)c2cc3[nH[#8]=[#6]-[#P00533 DrugBank 1 0.13

DB07808 (1S,2R)-2-[O=C(O)C1CC1C(=O)Nc1cc(F
[#8]=[#6]-[#P00533 DrugBank 1 0.13

DB08664 ({3-[1-(4-H CCC(c1cccc(NC(=O)CNC(=O

[#8]=[#6]-[#P00533 DrugBank 1 0.13
DB11686 IferanserinCN1CCCCC1CCc1ccccc1NC
[#8]=[#6]-[#P00533 DrugBank 1 0.13

DB13232 Suxibuzon CCCCC1(COC(=O)CCC(=O)O)

[#8]=[#6]-[#P00533 DrugBank 1 0.13

DB13239 NeltenexinO=C(Nc1c(Br)cc(Br)cc1CN [#8]=[#6]-[#P00533 DrugBank 1 0.13

DB13324 Tetrazepa CN1C(=O)CN=C(C2=CCCCC2

[#8]=[#6]-[#P00533 DrugBank 1 0.13

DB00296 RopivacainCCCN1CCCCC1C(=O)Nc1c([#8]=[#6]-[#P00533 DrugBank 1 0.12

DB00303 ErtapenemCC(O)C1C(=O)N2C(C(=O)O)[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB00801 HalazepamO=C1CN=C(c2ccccc2)c2cc(C
[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB00829 Diazepam CN1C(=O)CN=C(c2ccccc2)c2

[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB01362 Iohexol CC(=O)N(CC(O)CO)c1c(I)c([#8]=[#6]-[#P00533 DrugBank 1 0.12

DB02784 N-(Bromoace
O=C(CBr)NCCC(=O)NC(CO)[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB03903 Tmr CN(C)C1=CCC2=C(c3ccc(N[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB04001 6-(Oxalyl-AO=C(O)C(=O)Nc1cc2[nH]cc [#8]=[#6]-[#P00533 DrugBank 1 0.12

DB05035 EprotiromeCC(C)c1cc(Oc2c(Br)cc(NC( [#8]=[#6]-[#P00533 DrugBank 1 0.12

DB05498 KW-7158 CC(O)(C(=O)Nc1cccc2c1C(=[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB05796 Daglutril CCOC(=O)C(CCc1ccccc1)C[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB07057 (3S)-1-(2-hO=C(O)C1CC(=O)N(c2cccc [#8]=[#6]-[#P00533 DrugBank 1 0.12

DB07163 5-[(2-AMI NCCNc1cc(-c2ccc[nH]2)c2c [#8]=[#6]-[#P00533 DrugBank 1 0.12

DB08609 (2R)-N-{4-[CCN(c1ccccc1)S(=O)(=O)c1c
[#8]=[#6]-[#P00533 DrugBank 1 0.12
DB08945 Iotroxic aciO=C(COCCOCCOCC(=O)Nc1c(I)
[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB09134 Ioversol O=C(NCC(O)CO)c1c(I)c(C(=[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB09164 TechnetiumCC(C)c1cccc(C(C)C)c1NC( [#8]=[#6]-[#P00533 DrugBank 1 0.12

DB09288 Propaceta CCN(CC)CC(=O)Oc1ccc(NC(

[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB11705 Iomeprol CN(C(=O)CO)c1c(I)c(C(=O) [#8]=[#6]-[#P00533 DrugBank 1 0.12

DB12407 Iobitridol CN(CC(O)CO)C(=O)c1c(I)c([#8]=[#6]-[#P00533 DrugBank 1 0.12

DB12707 AR-42 CC(C)C(C(=O)Nc1ccc(C(=O)[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB13861 Iopentol COCC(O)CN(C(C)=O)c1c(I)c[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB14638 Diloxanide CN(C(=O)C(Cl)Cl)c1ccc(OC([#8]=[#6]-[#P00533 DrugBank 1 0.12

DB14866 AmcasertibCCN(CC)CCNC(=O)c1c(C)[nH
[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB15011 Avacopan Cc1ccc(NC(=O)C2CCCN(C(=

[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB15491 Oxazolam CC1CN2CC(=O)Nc3ccc(Cl)c[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB15954 StrychnineO=C1CC2OCC=C3CN4CCC5
[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB16527 Ethyl pipe CCOC(=O)c1ccc(NC(=O)CN[#8]=[#6]-[#P00533 DrugBank 1 0.12

DB00186 LorazepamO=C1Nc2ccc(Cl)cc2C(c2ccc[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB00231 TemazepaCN1C(=O)C(O)N=C(c2ccccc2
[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB00812 Phenylbut CCCCC1C(=O)N(c2ccccc2)N[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB00842 OxazepamO=C1Nc2ccc(Cl)cc2C(c2cc [#8]=[#6]-[#P00533 DrugBank 1 0.11

DB01557 α-MethylfeCCC(=O)N(c1ccccc1)C1CCN[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB01571 3-MethylfenCCC(=O)N(c1ccccc1)C1CC [#8]=[#6]-[#P00533 DrugBank 1 0.11

DB03585 OxyphenbuCCCCC1C(=O)N(c2ccccc2)N[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB05409 NCX 701 CC(=O)Nc1ccc(OC(=O)CCCO[

[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB07403 4-[(3-CH CN(C)C(=O)c1ccc(S(=O)(=O)

[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB07423 Andarine CC(=O)Nc1ccc(OCC(C)(O)C(=

[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB07561 (2Z)-2-cya CCOc1cccc(-c2ccc(NC(=O)C[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB08122 N-Methyl-4CNS(=O)(=O)c1ccc(NC=C2C[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB08213 1-METHYLCN1C(=O)C(=O)c2cc(S(=O)[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB09119 Eslicarbaz CC(=O)OC1Cc2ccccc2N(C(N
[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB09135 Ioxilan CC(=O)N(CC(O)CO)c1c(I)c([#8]=[#6]-[#P00533 DrugBank 1 0.11

DB09156 Iopromide COCC(=O)Nc1c(I)c(C(=O)NC

[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB09171 β-MethylfeCCC(=O)N(c1ccccc1)C1CCN[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB09177 p-FluorofenCCC(=O)N(c1ccc(F)cc1)C1 [#8]=[#6]-[#P00533 DrugBank 1 0.11

DB09178 PhenaridinCCC(=O)N(c1ccccc1)C1CC([#8]=[#6]-[#P00533 DrugBank 1 0.11

DB09179 R-30490 CCC(=O)N(c1ccccc1)C1(CO[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB12329 Eravacycli CN(C)C1C(O)=C(C(N)=O)C([#8]=[#6]-[#P00533 DrugBank 1 0.11

DB13701 Ioglicic aci CNC(=O)CNC(=O)c1c(I)c(NC(

[#8]=[#6]-[#P00533 DrugBank 1 0.11
DB13872 LormetazeCN1C(=O)C(O)N=C(c2ccccc2
[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB13936 JNJ-28330CC1(C(=O)Nc2ccc(C#N)c(C([#8]=[#6]-[#P00533 DrugBank 1 0.11

DB14125 BenazeprilO=C(O)CN1C(=O)C(NC(CCc2
[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB15321 Tefinostat O=C(CCCCCCC(=O)Nc1ccc([#8]=[#6]-[#P00533 DrugBank 1 0.11

DB15982 BerotralstaN#Cc1cccc(C(NCC2CC2)c2ccc
[#8]=[#6]-[#P00533 DrugBank 1 0.11

DB00813 Fentanyl CCC(=O)N(c1ccccc1)C1CCN[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB01138 Sulfinpyra O=C1C(CCS(=O)c2ccccc2)C(

[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB01193 Acebutolol CCCC(=O)Nc1ccc(OCC(O)CN

[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB01544 Flunitraze CN1C(=O)CN=C(c2ccccc2F)c2

[#8]=[#6]-[#P00533 DrugBank 1 0.1
DB01567 Fludiazep CN1C(=O)CN=C(c2ccccc2F)c
[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB01578 MetrizamidCC(=O)Nc1c(I)c(C(=O)NC(C[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB02058 3-[4-(1-for O=CN1CCN(c2ccc(CC3C(=O)

[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB05408 EmricasanCC(NC(=O)C(=O)Nc1ccccc1C
[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB06210 Eltrombop CC1=NN(c2ccc(C)c(C)c2)C([#8]=[#6]-[#P00533 DrugBank 1 0.1

DB06481 Manitimus C#CCCC(O)=C(C#N)C(=O)Nc

[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB07188 (3S)-1-C O=C(Nc1cc(Cl)cc(Cl)c1)C [#8]=[#6]-[#P00533 DrugBank 1 0.1

DB07443 (2Z)-N-bip CC(O)=C(C#N)C(=O)Nc1ccc(

[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB07559 (2Z)-2-cyanCC(O)=C(C#N)C(=O)Nc1ccc(-
[#8]=[#6]-[#P00533 DrugBank 1 0.1
DB07825 (3S)-1-(4-aCC(=O)c1ccc(N2CC(C(=O)O[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB08137 (4E)-N-(4-fO=C(Nc1c[nH]nc1C(=O)Nc1c
[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB08138 {[(2,6-difl O=C(Nc1ccc(F)cc1)c1n[nH] [#8]=[#6]-[#P00533 DrugBank 1 0.1

DB08301 N-({[4-( Cc1ccc(S(=O)(=O)NC(=O)Nc[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB08378 4-[4-(2,5 O=C(O)CCC(O)Nc1ccc(N2C[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB08407 PlatensimyCC12CC34C=CC(=O)C(C)(C[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB09173 ButyrfentanCCCC(=O)N(c1ccccc1)C1C [#8]=[#6]-[#P00533 DrugBank 1 0.1

DB09182 Benzylfent CCC(=O)N(c1ccccc1)C1CCN[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB09403 Iocetamic aCC(=O)N(CC(C)C(=O)O)c1c(I)

[#8]=[#6]-[#P00533 DrugBank 1 0.1
DB11409 Febantel COCC(=O)Nc1cc(Sc2ccccc [#8]=[#6]-[#P00533 DrugBank 1 0.1

DB12243 EdaravoneCC1=NN(c2ccccc2)C(=O)C1[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB13082 Nefiraceta Cc1cccc(C)c1NC(=O)CN1C [#8]=[#6]-[#P00533 DrugBank 1 0.1

DB13444 IoxitalamicCC(=O)Nc1c(I)c(C(=O)O)c(I [#8]=[#6]-[#P00533 DrugBank 1 0.1

DB13481 Tenidap NC(=O)N1C(=O)C(=C(O)c2cc

[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB13539 Iodoxamic O=C(CCOCCOCCOCCOCCC(=O)N

[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB14671 Temazepam
CC(=O)OC1N=C(c2ccccc2)c[#8]=[#6]-[#P00533 DrugBank 1 0.1

DB14835 SUVN-G30O=C(CN1CCOCC1)Nc1ccc([#8]=[#6]-[#P00533 DrugBank 1 0.1

DB00243 RanolazineCOc1ccccc1OCC(O)CN1CCN
[#8]=[#6]-[#P00533 DrugBank 1 0.09
DB00297 BupivacainCCCCN1CCCCC1C(=O)Nc1c
[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB00560 TigecyclineCN(C)c1cc(NC(=O)CNC(C)([#8]=[#6]-[#P00533 DrugBank 1 0.09

DB01002 LevobupivaCCCCN1CCCCC1C(=O)Nc1c
[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB01689 Inhibitor I Cc1ccccc1CC(=O)Nc1cc(C)c[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB02276 (S)-2-(Pho CCCCC(OP(=O)(O)O)C(=O)NC

[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB04394 3-Nitro-4-( NS(=O)(=O)c1ccc(N2CCCC2=

[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB07090 (3S)-N-( Cc1c(Cl)cccc1NC(=O)C1C [#8]=[#6]-[#P00533 DrugBank 1 0.09

DB07155 (3S)-1-C O=C(Nc1ccccc1)C1CC(=O) [#8]=[#6]-[#P00533 DrugBank 1 0.09

DB07167 5-CYANO-F
CC1CCN(c2ccc(CO)cc2NC(=[#8]=[#6]-[#P00533 DrugBank 1 0.09
DB07222 (3S)-N-( Cc1ccc(Cl)cc1NC(=O)C1C [#8]=[#6]-[#P00533 DrugBank 1 0.09

DB07419 S-23 CC(O)(COc1ccc(Cl)c(F)c1)C[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB07422 (2S)-2-hydrCC(O)(COc1c(F)c(F)c(F)c(F)[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB07769 S-3-(4-F CC(O)(COc1ccc(F)cc1)C(=O)N

[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB08136 4-(acetyla CC(=O)Nc1c[nH]nc1C(=O)Nc

[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB08366 3-({3-[(1S CC12CC34CCC(=O)C(C)(CC

[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB08674 (20S)-19, N#Cc1ccc2cc1Oc1ccc3cccc[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB09346 Metrizoic aCC(=O)Nc1c(I)c(C(=O)O)c(I)[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB11753 Rifamycin COC1/C=C\OC2(C)Oc3c(C)c[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB12325 IdasanutlinCOc1cc(C(=O)O)ccc1NC(=O)
[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB12712 PilsicainideCc1cccc(C)c1NC(=O)CC1 [#8]=[#6]-[#P00533 DrugBank 1 0.09

DB13629 Mofebutaz CCCCC1C(=O)NN(c2ccccc2[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB13641 MetisazoneCN1C(=O)C(=NNC(N)=S)c2c[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB15356 SLV-334 O=C(O)CN1C(=O)C(NC(=O)C

[#8]=[#6]-[#P00533 DrugBank 1 0.09

DB00268 Ropinirole CCCN(CCC)CCc1cccc2c1CC

[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB00628 Clorazepic O=C(O)C1N=C(c2ccccc2)c2[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB01249 Iodixanol CC(=O)N(CC(O)CN(C(C)=O)c

[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB03342 4-(Acetyla CC(=O)Nc1ccc(C(=O)O)cc1 [#8]=[#6]-[#P00533 DrugBank 1 0.08

DB04709 (3AALPHA,O=C1C2C3CCC(CC3)C2C(=O)
[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB06741 GavestinelO=C(C=Cc1c(C(=O)O)[nH]c2c
[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB07039 (2S)-N-(4- CC(O)(COc1ccc(C#N)cc1)C([#8]=[#6]-[#P00533 DrugBank 1 0.08

DB07085 2-{[N-(2 CC(=O)c1cc(F)c(Cl)cc1NCC[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB07454 (R)-3-BR CC(O)(CBr)C(=O)Nc1ccc([N+]

[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB08125 4-{[(2-Oxo-O=C1Nc2ccccc2C1=CNc1ccc
[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB08133 N-(4-sulfa NS(=O)(=O)c1ccc(NC(=O)c2[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB11463 SulfanitranCC(=O)Nc1ccc(S(=O)(=O)Nc2
[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB12078 EnobosarmCC(O)(COc1ccc(C#N)cc1)C([#8]=[#6]-[#P00533 DrugBank 1 0.08

DB12439 Ioforminol O=CN(CC(O)CN(C=O)c1c(I)c
[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB12882 Ombrabuli COc1ccc(C=Cc2cc(OC)c(OC[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB13183 TechnetiumCCc1cccc(CC)c1NC(=O)CN[#8]=[#6]-[#P00533 DrugBank 1 0.08

DB01511 Delorazep O=C1CN=C(c2ccccc2Cl)c2cc

[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB02756 PyroquilonO=C1CCc2cccc3c2N1CC3 [#8]=[#6]-[#P00533 DrugBank 1 0.07

DB03650 (3e)-3-[(4- O=C1Nc2ccccc2C1=Nc1ccc([#8]=[#6]-[#P00533 DrugBank 1 0.07

DB05407 TBC-3711 CC(=O)c1cc(C)cc(C)c1NC(=[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB06794 LodoxamidN#Cc1cc(NC(=O)C(=O)O)c(C
[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB06956 N-(4-ACE CC(=O)c1ccc(NC(=O)c2cn[nH

[#8]=[#6]-[#P00533 DrugBank 1 0.07
DB07493 5-BromoindO=C1Nc2ccc(Br)cc2C1=C1N[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB07956 [1-(3-CH CC(C)C(NC(=O)OC(C)(C)C)[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB08135 N-phenyl-1O=C(Nc1ccccc1)c1cc[nH]n1[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB08172 (2Z)-N-(3- COc1ccccc1-c1ccc(NC(=O)C[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB08880 TeriflunomCC(O)=C(C#N)C(=O)Nc1ccc(
[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB08940 Kebuzone CC(=O)CCC1C(=O)N(c2cccc[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB08947 Iopamidol CC(O)C(=O)Nc1c(I)c(C(=O) [#8]=[#6]-[#P00533 DrugBank 1 0.07

DB09188 Amedalin CNCCCC1(C)C(=O)N(c2cccc[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB12068 T-900607 COc1ccc(NS(=O)(=O)c2c(F)c

[#8]=[#6]-[#P00533 DrugBank 1 0.07
DB12082 VesnarinonCOc1ccc(C(=O)N2CCN(c3cc[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB12094 SemapimoCC(=NNC(=N)N)c1cc(NC(=O[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB12955 DelparantaCOc1ccc(NC(=O)C(CCCCN)[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB13328 Butanilicai CCCCNCC(=O)Nc1c(C)cccc[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB13364 FeprazoneCC(C)=CCC1C(=O)N(c2cccc[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB13580 SuccinylsulO=C(O)CCC(=O)Nc1ccc(S(=[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB14672 OxazepamCC(=O)OC1N=C(c2ccccc2)c[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB16231 Methfurox Cc1oc(C)c(C(=O)Nc2ccccc2[#8]=[#6]-[#P00533 DrugBank 1 0.07

DB00271 DiatrizoateCC(=O)Nc1c(I)c(NC(C)=O)c([#8]=[#6]-[#P00533 DrugBank 1 0.06

DB01128 Bicalutami CC(O)(CS(=O)(=O)c1ccc(F)c[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB01532 α-MethylacCC(=O)N(c1ccccc1)C1CCN([#8]=[#6]-[#P00533 DrugBank 1 0.06

DB01734 3-(Oxalyl- O=C(O)C(=O)Nc1cc2ccccc2[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB02932 (R)-Bicalu CC(O)(CS(=O)(=O)c1ccc(F)c[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB03428 SU9516 COc1ccc2c(c1)C(=Cc1cnc[n[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB03475 1-[4-CarboCCC(CC)Nc1cc(C(=O)O)cc [#8]=[#6]-[#P00533 DrugBank 1 0.06

DB04157 N-[(AminooNOC(=O)Nc1ccccc1 [#8]=[#6]-[#P00533 DrugBank 1 0.06

DB07226 N-[4-(2-C O=CNc1ccc2[nH]c3cc(-c4cc[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB07813 GLYCYLALCC(NC(=O)CN)C(=O)N1CCC
[#8]=[#6]-[#P00533 DrugBank 1 0.06
DB08039 (3Z)-N,N- CN(C)S(=O)(=O)c1ccc2c(c1[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB08498 (1S)-1-(3-cCC(=O)OC(C(=O)Nc1cccc2c[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB09340 TyropanoicCCCC(=O)Nc1c(I)cc(I)c(CC([#8]=[#6]-[#P00533 DrugBank 1 0.06

DB09487 Iotrolan CN(C(=O)CC(=O)N(C)c1c(I)[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB12780 QuinfamideO=C(Oc1ccc2c(c1)CCCN2C(=
[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB13042 FenoverineO=C(CN1CCN(Cc2ccc3c(c2)[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB14028 NordazepaO=C1CN=C(c2ccccc2)c2cc(C
[#8]=[#6]-[#P00533 DrugBank 1 0.06

DB02662 Novo NordO=C(O)C(=O)Nc1ccc(I)cc1C[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB03628 ISO24 CCc1ccc(NC(=O)P(=O)(O)O[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB03648 (2S,2'S)-2,CCCCC(CNNCC(CCCC)C(=O)
[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB04814 BunamiodyCCCC(=O)Nc1c(I)cc(I)c(C= [#8]=[#6]-[#P00533 DrugBank 1 0.05

DB05076 FenretinideCC(C=CC1=C(C)CCCC1(C)C
[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB07185 2-{[(4-C O=C(COc1ccc(Cl)cc1)Nc1cc[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB07826 2-[4-chlor O=C(COc1ccc(Cl)cc1C(=O)c[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB07976 3-{[(3-F COc1cccc(-c2ccc(NC(=O)c3c

[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB07977 3-({[3,5 O=C(Nc1c(F)cc(-c2cccc(OC([#8]=[#6]-[#P00533 DrugBank 1 0.05

DB08792 Diloxanide CN(C(=O)C(Cl)Cl)c1ccc(O)c[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB08948 Iodamide CC(=O)NCc1c(I)c(NC(C)=O)c

[#8]=[#6]-[#P00533 DrugBank 1 0.05
DB12379 Indirubin O=C1Nc2ccccc2C1=C1Nc2c[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB13653 Lorcainide CC(C)N1CCC(N(C(=O)Cc2ccc

[#8]=[#6]-[#P00533 DrugBank 1 0.05

DB00281 Lidocaine CCN(CC)CC(=O)Nc1c(C)ccc[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB00499 Flutamide CC(C)C(=O)Nc1ccc([N+](=O)[

[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB00549 Zafirlukast COc1cc(C(=O)NS(=O)(=O)c[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB00983 FormoterolCOc1ccc(CC(C)NCC(O)c2cc[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB01056 Tocainide Cc1cccc(C)c1NC(=O)C(C)N [#8]=[#6]-[#P00533 DrugBank 1 0.04

DB01274 ArformoteroCOc1ccc(CC(C)NCC(O)c2cc[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB07434 HONH-BEN
CC(NC(=O)C(Cc1ccccc1)C(=[#8]=[#6]-[#P00533 DrugBank 1 0.04
DB07975 2-({[3,5 O=C(O)C1=C(C(=O)Nc2c(F)c
[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB07978 2-({[2,3, O=C(O)C1=C(C(=O)Nc2c(F)c(

[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB08486 EfaproxiralCc1cc(C)cc(NC(=O)Cc2ccc([#8]=[#6]-[#P00533 DrugBank 1 0.04

DB09133 Iothalamic CNC(=O)c1c(I)c(NC(C)=O)c([#8]=[#6]-[#P00533 DrugBank 1 0.04

DB12181 DalcetrapibCCC(CC)CC1(C(=O)Nc2ccc[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB12971 Pactimibe CCCCCCCCN1CCc2c(C)c(CC(

[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB13101 4SC-202 Cn1cc(-c2ccc(S(=O)(=O)n3 [#8]=[#6]-[#P00533 DrugBank 1 0.04

DB13755 Iocarmic acCNC(=O)c1c(I)c(NC(=O)CCCC

[#8]=[#6]-[#P00533 DrugBank 1 0.04

DB01502 DiampromiCCC(=O)N(CC(C)N(C)CCc1c
[#8]=[#6]-[#P00533 DrugBank 1 0.03
DB02420 [[4-(Amino NCc1ccc(NC(=O)C(=O)O)cc[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB02546 Vorinostat O=C(CCCCCCC(=O)Nc1ccc[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB04565 4-(Acetyla CC(=O)Nc1ccc(C(=O)O)cc1 [#8]=[#6]-[#P00533 DrugBank 1 0.03

DB07553 9,9,9-TR O=C(CCCCCCC(=O)C(F)(F)F

[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB07805 3-CHLOROCC(C)(CCl)C(=O)Nc1ccc(C(F
[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB08545 (1S)-1-PheCC(=O)Nc1ccc(CP(=O)(O)OC
[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB08570 4-(ACETY CC(=O)Nc1c(O)cc(C(=O)O)cc

[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB08987 Etidocaine CCCN(CC)C(CC)C(=O)Nc1c(

[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB09347 Acetrizoic CC(=O)Nc1c(I)cc(I)c(C(=O)O[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB12337 N-acetylsulfCC(=O)Nc1ccc(S(=O)(=O)Cl[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB12829 AmithiozonCC(=O)Nc1ccc(C=NNC(N)=S
[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB13278 Bucetin CCOc1ccc(NC(=O)CC(C)O)c[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB13286 BumadizonCCCCC(C(=O)O)C(=O)N(Nc1
[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB13957 J147 COc1cccc(C=NN(C(=O)C(F)([#8]=[#6]-[#P00533 DrugBank 1 0.03

DB14929 ElsulfavirinCCC(=O)NS(=O)(=O)c1ccc(NC
[#8]=[#6]-[#P00533 DrugBank 1 0.03

DB00265 CrotamitonCC=CC(=O)N(CC)c1ccccc1 [#8]=[#6]-[#P00533 DrugBank 1 0.02

DB02095 Isatin O=C1Nc2ccccc2C1=O [#8]=[#6]-[#P00533 DrugBank 1 0.02

DB04711 IodipamideO=C(CCCCC(=O)Nc1c(I)cc(I)c
[#8]=[#6]-[#P00533 DrugBank 1 0.02
DB07762 4-(N-ACETCCC(CC)C(=O)Nc1cc(C(=O)[#8]=[#6]-[#P00533 DrugBank 1 0.02

DB08464 METHYL 3COC(=O)c1c(O)cc(O)c(Cl)c [#8]=[#6]-[#P00533 DrugBank 1 0.02

DB08497 (1S)-2-oxo-CC(=O)OC(C(=O)Nc1cccc2c[#8]=[#6]-[#P00533 DrugBank 1 0.02

DB08571 4-(ACETY CC(=O)Nc1c(N)cc(C(=O)O) [#8]=[#6]-[#P00533 DrugBank 1 0.02

DB14627 OxyphenisaCC(=O)Oc1ccc(C2(c3ccc(OC
[#8]=[#6]-[#P00533 DrugBank 1 0.02

DB15446 Vidofludim COc1cccc(-c2ccc(NC(=O)C3[#8]=[#6]-[#P00533 DrugBank 1 0.02

DB00522 BentiromidO=C(O)c1ccc(NC(=O)C(Cc2c
[#8]=[#6]-[#P00533 DrugBank 1 0.01

DB00750 Prilocaine CCCNC(C)C(=O)Nc1ccccc1[#8]=[#6]-[#P00533 DrugBank 1 0.01

DB01268 Sunitinib CCN(CC)CCNC(=O)c1c(C)[n[#8]=[#6]-[#P00533 DrugBank 1 0.01

DB02268 4-(Acetyla CC(=O)Nc1ccc(C(=O)O)cc1 [#8]=[#6]-[#P00533 DrugBank 1 0.01

DB02622 2-(Oxalyl- O=C(O)C(=O)Nc1ccccc1C(=[#8]=[#6]-[#P00533 DrugBank 1 0.01

DB03783 PhenacetinCCOc1ccc(NC(C)=O)cc1 [#8]=[#6]-[#P00533 DrugBank 1 0.01

DB07180 5-[(Z)-(5-C CNC(=O)c1c(C)[nH]c(C=C2C[#8]=[#6]-[#P00533 DrugBank 1 0.01

DB07615 Tranilast COc1ccc(C=CC(=O)Nc2cccc[#8]=[#6]-[#P00533 DrugBank 1 0.01

DB12311 CP1-1189 CC(=O)Nc1ccc(C(=O)NC(C)([#8]=[#6]-[#P00533 DrugBank 1 0.01

DB00316 AcetaminoCC(=O)Nc1ccc(O)cc1 [#8]=[#6]-[#P00533 DrugBank 1 0

DB04500 Acedoben CC(=O)Nc1ccc(C(=O)O)cc1 [#8]=[#6]-[#P00533 DrugBank 1 0

DB04823 OxyphenisaO=C1Nc2ccccc2C1(c1ccc(O)[#8]=[#6]-[#P00533 DrugBank 1 0

DB06436 SemaxanibCc1cc(C)c(C=C2C(=O)Nc3cc[#8]=[#6]-[#P00533 DrugBank 1 0

DB07078 (3Z)-6-(4 COc1cc(-c2ccc3c(c2)NC(=O[#8]=[#6]-[#P00533 DrugBank 1 0

DB08009 SU-11652 CCN(CC)CCNC(=O)c1c(C)[n[#8]=[#6]-[#P00533 DrugBank 1 0

DB08562 4-(4-STY O=C(O)CCCC(=O)Nc1ccc(C=

[#8]=[#6]-[#P00533 DrugBank 1 0

DB08577 3-[(3-(2 Cc1c[nH]c(C=C2C(=O)Nc3c[#8]=[#6]-[#P00533 DrugBank 1 0

DB12072 Orantinib Cc1[nH]c(C=C2C(=O)Nc3cc[#8]=[#6]-[#P00533 DrugBank 1 0

DB15885 MethacetinCC(=O)Nc1ccc(O[13CH3])cc[#8]=[#6]-[#P00533 DrugBank 1 0

Prediction (activity) (Confidence)