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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02181028

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.75
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.75
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.83
3IL3-(INDOL-3-YL) LACTATEA2A7P0.81
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,L2ZWL0.74
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.82
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.82
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.8
4FW4-FLUOROTRYPTOPHANEA1RM90.84
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE
A,B1XOI0.73
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.84
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE
A2HXQ0.73
2MI2-METHYL-1H-INDOLEA2PIO0.71
4PPC,L1XKA0.72
4PPA,B,C,D1XKB0.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.84
4IN4-AMINO-L-TRYPTOPHANA1OXF0.84
4HT4-HYDROXYTRYPTOPHANH,L1RU90.8
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.8
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.8
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.8
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWI0.72
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid
A3A1L0.73
1103-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-
3-[(4-OXO-2-PHENYLMETHANESULFONYL-
1,2,3,4-TETRAHYDRO-PYRROLO[1,2-
A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER
A1G370.7
0AF7-hydroxy-L-tryptophanL1MAE0.77
0AF7-hydroxy-L-tryptophanL1MAF0.77
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.82
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.82