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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03431068

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FW4-FLUOROTRYPTOPHANEA1RM90.86
6CW6-CHLORO-L-TRYPTOPHANB2GV20.82
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.82
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.82
792N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-
5-methyl-D-tryptophan
A,B,C,D3G420.73
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.83
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.83
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.85
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.85
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.88
5PIN-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-
N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-
L-GLUTAMAMIDE
H,L1WV70.71
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,L2ZWL0.77
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.77
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.77
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid
A3A1L0.72
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN
A,B2OW00.8
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.88
4PPC,L1XKA0.72
4PPA,B,C,D1XKB0.72
32T(S)-2-AMINO-3-(4H-THIENO[3,2-B]-
PYRROL-6-YL)-PROPIONIC ACID
A1RMO0.76
0AF7-hydroxy-L-tryptophanL1MAE0.78
0AF7-hydroxy-L-tryptophanL1MAF0.78
3IL3-(INDOL-3-YL) LACTATEA2A7P0.85
5BN5-[(2-AMINOETHYL)AMINO]-6-FLUORO-
3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-
2(1H)-ONE
A1P2A0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.84
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.86
4IN4-AMINO-L-TRYPTOPHANA1OXF0.86
4HT4-HYDROXYTRYPTOPHANH,L1RU90.81
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.81
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.81
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.81