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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00110889

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,L2ZWL0.75
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.78
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.78
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.78
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN
A,B2OW00.75
4FW4-FLUOROTRYPTOPHANEA1RM90.78
2MI2-METHYL-1H-INDOLEA2PIO0.77
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.82
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.82
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.75
4HT4-HYDROXYTRYPTOPHANH,L1RU90.7
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.7
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.7
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.7
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.72
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.7
6CW6-CHLORO-L-TRYPTOPHANB2GV20.74
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.74
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.74
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID
A1Z3N0.76
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.73
3IL3-(INDOL-3-YL) LACTATEA2A7P0.75
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.75
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.77
4IN4-AMINO-L-TRYPTOPHANA1OXF0.77
32T(S)-2-AMINO-3-(4H-THIENO[3,2-B]-
PYRROL-6-YL)-PROPIONIC ACID
A1RMO0.8
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.78