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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01195099

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.7
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.81
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.81
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.79
4IN4-AMINO-L-TRYPTOPHANA1OXF0.79
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,L2ZWL0.7
4HT4-HYDROXYTRYPTOPHANH,L1RU90.72
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.72
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.72
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.72
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C060.73
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C0A0.73
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.81
238A2PRH0.7
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.76
4PPC,L1XKA0.72
4PPA,B,C,D1XKB0.72
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID
A1MZS0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.77
3IL3-(INDOL-3-YL) LACTATEA2A7P0.77
0AF7-hydroxy-L-tryptophanL1MAE0.7
0AF7-hydroxy-L-tryptophanL1MAF0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.8
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.8
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.8
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWI0.78
6CW6-CHLORO-L-TRYPTOPHANB2GV20.86
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.86
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.86
4FW4-FLUOROTRYPTOPHANEA1RM90.8
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid
A3A1L0.75