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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00921568

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.71
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE
A2PE20.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.75
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.75
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C060.72
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C0A0.72
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone
A,B,D,E3CH60.73
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.75
6CW6-CHLORO-L-TRYPTOPHANB2GV20.71
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.71
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.71
4FW4-FLUOROTRYPTOPHANEA1RM90.74
3IL3-(INDOL-3-YL) LACTATEA2A7P0.7
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.72
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE
A2OJG0.74
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1NZQ0.8
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.73
4IN4-AMINO-L-TRYPTOPHANA1OXF0.73
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.71
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.7
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1O0D0.79
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.75
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.75