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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01981920

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QGW0.75
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.71
CT54-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-
6-ETHYLBENZENE-1,3-DIOL
A2BRC0.71
CT54-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-
6-ETHYLBENZENE-1,3-DIOL
A,B2CDD0.71
CT54-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-
6-ETHYLBENZENE-1,3-DIOL
A,B2BT00.71
P4A4-[4-(4-methoxyphenyl)-5-methyl-
1H-pyrazol-3-yl]benzene-1,3-diol
A,B2ZDX0.75
YSH1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-
1H-PYRAZOLE-4-CARBOXYLIC ACID
A,B1VDV0.72
KN14-[1-allyl-7-(trifluoromethyl)-
1H-indazol-3-yl]benzene-1,3-diol
A,B2QZO0.71
R04(2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-
5-FLUORO-1-METHYL-1H-INDAZOL-6-
YL]OXY}-N-METHYL-2-BUTEN-1-AMINE
A,B,C1H3A0.73
SS5(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-
3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
A2UZV0.71
R03ALLYL-{6-[3-(4-BROMO-PHENYL)-1-
METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-
N-METHYLAMINE
A,B,C1H390.74
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.72
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.8
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.74
T4BA2NNQ0.78
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.7
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.71