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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00467690

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5Q0.76
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1EXV0.76
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5S0.76
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L7X0.76
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5R0.76
4FW4-FLUOROTRYPTOPHANEA1RM90.77
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.75
6CW6-CHLORO-L-TRYPTOPHANB2GV20.76
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.76
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.76
4HT4-HYDROXYTRYPTOPHANH,L1RU90.72
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.72
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.72
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.76
4IN4-AMINO-L-TRYPTOPHANA1OXF0.76
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.76
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE
A,B1XOI0.75
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.76
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.72
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE
A1O3L0.71
5Z55-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-
2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
A2JAV0.71
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE
A2HXQ0.74
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.78
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.78
0AF7-hydroxy-L-tryptophanL1MAE0.7
0AF7-hydroxy-L-tryptophanL1MAF0.7
5672-[[(2R)-1-[[(2S)-5-amino-1-[(4-
carbamimidoylphenyl)methylamino]-
1,5-dioxo-pentan-2-yl]amino]-3-
(1H-indol-3-yl)-1-oxo-propan-2-
yl]sulfamoyl]ethanoic acid
H,L2ZWL0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.75
3IL3-(INDOL-3-YL) LACTATEA2A7P0.73
5ZA(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-
3-(2-HYDROXYETHYL)-3,5-DIHYDRO-
4H-IMIDAZOL-4-ONE
A1OXF0.7