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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03097201

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1XOS0.72
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1TBF0.72
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A,B,C2H420.72
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1UDT0.72
GG21-(4-METHOXYPHENYL)-7-OXO-6-[4-
(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-
TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-
3-CARBOXAMIDE
A2P160.83
ZAA(5-{3-[2-(5-methyl-2-phenyl-1,3-
oxazol-4-yl)ethoxy]benzyl}-2-phenyl-
2H-1,2,3-triazol-4-yl)acetic acid
A3BC50.73
ZYEN-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHOXYBENZYL)AMINO]PROPYL}-
1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H-
PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE
A2WEZ0.7
JK13-{4-[(phenylcarbamoyl)amino]-1H-
pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide
A3FI20.82
471N-((2S)-2-({(1Z)-1-METHYL-3-OXO-
3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-
1-ENYL}AMINO)-3-{4-[2-(5-METHYL-
2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE
A,B,C,D1KKQ0.71
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41VBB0.7
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41PO10.7
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.73
FRI2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-
(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-
2,3-DICHLORO-PHENYL]-2-METHYL-2H-
PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-
OXO-ETHYL]-AMIDE
A,B,C,D1QVN0.71
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBE0.71
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBA0.71
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBD0.71
337N-benzyl-1-[5-({5-tert-butyl-2-
methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-
2-methylphenyl]-1H-1,2,3-triazole-
4-carboxamide
A3CTQ0.72
JK23-{5-[(2-fluorophenyl)amino]-1H-
indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide
A3FI30.81
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8R0.71
LG01-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-
1-ylmethyl)cyclopropyl)phenyl)-
3-(trifluoromethyl)-5,6-dihydro-
1H-pyrazolo[3,4-c]pyridin-7(4H)-
one
A3CS70.8
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
A,B2POB0.73
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41PO20.71
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41VBC0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.72
RIE(3R,5R)-7-[1-(4-fluorophenyl)-4-
(1-methylethyl)-3-{methyl[(1R)-
1-phenylethyl]carbamoyl}-1H-pyrazol-
5-yl]-3,5-dihydroxyheptanoic acid
A,B,C,D2R4F0.71
MT32-benzyl-5-{4-[(6,7-dimethoxyquinolin-
4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-
4(3H)-one
A,B3EFJ0.7
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
B1LPG0.74
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
A1LQE0.74
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.71
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.74
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.71
310N-carbamimidoyl-2-[2-(2-chlorophenyl)-
5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-
1-yl]ethanamide
A2ZDZ0.71
5QC1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-
6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-
1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-
1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-
C]PYRIDIN-7-ONE
A2FZZ0.73
2E15-(5-CHLORO-2,4-DIHYDROXYPHENYL)-
N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-
3-CARBOXAMIDE
A2CCT0.72
REW(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-
(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-
4-OXOAZETIDINE-2-CARBOXYLIC ACID
A2REW0.72
4LGMETHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETATE
A,B2G270.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.71
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.75
T4BA2NNQ0.7
V5X(2R)-N~8~-HYDROXY-2-{[(5-METHOXY-
2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-
N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE
A,B2V5X0.71
4QC3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL-
4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-
4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-
C]PYRIDIN-1-YL]BENZAMIDE
A2G000.71
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.72
BSM5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-
N-ETHYL-4-(4-METHOXYPHENYL)-1H-
PYRAZOLE-3-CARBOXAMIDE
A2BSM0.74