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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03100002

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
238A2PRH0.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.78
4PPC,L1XKA0.79
4PPA,B,C,D1XKB0.79
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE
B2BPV0.71
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE
B2BPW0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.79
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.79
4HT4-HYDROXYTRYPTOPHANH,L1RU90.74
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.77
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.77
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.79
4IN4-AMINO-L-TRYPTOPHANA1OXF0.79
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.76
0AF7-hydroxy-L-tryptophanL1MAE0.71
0AF7-hydroxy-L-tryptophanL1MAF0.71
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.71
4FW4-FLUOROTRYPTOPHANEA1RM90.79
6CW6-CHLORO-L-TRYPTOPHANB2GV20.75
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.75
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.75
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
3IL3-(INDOL-3-YL) LACTATEA2A7P0.75
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN
A,B2OW00.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.74
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.78