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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233599

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.76
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.81
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.81
4PPC,L1XKA0.71
4PPA,B,C,D1XKB0.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.79
4IN4-AMINO-L-TRYPTOPHANA1OXF0.79
32T(S)-2-AMINO-3-(4H-THIENO[3,2-B]-
PYRROL-6-YL)-PROPIONIC ACID
A1RMO0.74
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
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN
A,B2OW00.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.81
3IL3-(INDOL-3-YL) LACTATEA2A7P0.78
4FW4-FLUOROTRYPTOPHANEA1RM90.79
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.78
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.81
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.7
CTE7-CHLOROTRYPTOPHANA2AR80.74
CTE7-CHLOROTRYPTOPHANA2V7L0.74
BTR6-BROMO-TRYPTOPHANA1WCT0.76
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.8
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.8
C08difluoro(5-{2-[(5-octyl-1H-pyrrol-
2-yl-kappaN)methylidene]-2H-pyrrol-
5-yl-kappaN}pentanoato)boron
A,B2ZK60.72
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.73