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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01328607

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL
A2BDJ0.7
RC7{(2R)-4-(4-HYDROXYBENZYL)-2-[2-
(1H-IMIDAZOL-4-YL)ETHYL]-5-OXO-
2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE
A,B,C,D2GW40.71
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1NDW0.72
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI00.71
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GI80.71
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GHW0.71
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI10.71
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI30.71
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHX0.71
YE7IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDEA2P980.72
FRC1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-
1H-IMIDAZONE-4-CARBOXAMIDE
A1V7A0.71
BPG9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINEA,B1QHI0.7
4HI(3R,5R)-7-[4-(benzylcarbamoyl)-
2-(4-fluorophenyl)-5-(1-methylethyl)-
1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
B,C,D3CCW0.7
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI40.71
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI20.71
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A1XP00.78
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A,B3B2R0.78
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A,B1XOT0.78
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A1UHO0.78
IK81-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-
N-(4-{2-[(DIMETHYLAMINO)METHYL]-
1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-
3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-
5-CARBOXAMIDE
A1Z6E0.7
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.74
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.7
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol
A,B2QSE0.73
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE
A,B,C,D2BTJ0.72
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE
A,B,C,D2VVJ0.72
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.7
C122-(1-AMINO-2-HYDROXYPROPYL)-4-(4-
HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-
IMIDAZOL-5-OLATE
A2FZU0.74