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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01386629

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
YSH1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-
1H-PYRAZOLE-4-CARBOXYLIC ACID
A,B1VDV0.78
2D7N-(4-ACETYLPHENYL)-5-(5-CHLORO-
2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-
4-CARBOXAMIDE
A2BYH0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.74
PQB[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
A2BAQ0.75
PQB[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
A2GFS0.75
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41VBB0.7
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41PO10.7
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,C1H3A0.72
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1XOS0.7
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1TBF0.7
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A,B,C2H420.7
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1UDT0.7
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBE0.71
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBA0.71
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBD0.71
JK23-{5-[(2-fluorophenyl)amino]-1H-
indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide
A3FI30.71
T4BA2NNQ0.71
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.7
JK13-{4-[(phenylcarbamoyl)amino]-1H-
pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide
A3FI20.73
869(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-
4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-
2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE
A1TFZ0.75
869(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-
4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-
2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE
A,B1SQI0.75
R03ALLYL-{6-[3-(4-BROMO-PHENYL)-1-
METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-
N-METHYLAMINE
A,B,C1H390.73
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.72
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FLS0.7
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FM10.7
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.72
3076,7-DIMETHYL-3-[(METHYL{2-[METHYL({1-
[3-(TRIFLUOROMETHYL)PHENYL]-1H-
INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]-
4H-CHROMEN-4-ONE
A,C2AZ50.71
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41PO20.72
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41VBC0.72
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.77
PQA[5-AMINO-1-(4-FLUOROPHENYL)-1H-
PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
A2BAL0.77