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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00276686

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE
A,B1XOI0.72
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.71
2MI2-METHYL-1H-INDOLEA2PIO0.78
057N-(2-hydroxy-1,1-dimethylethyl)-
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-
2-yl)-1H-indole-5-carboxamide
A,B3FQH0.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.75
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.85
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE
A,B2G1O0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.8
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.8
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.75
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.73
3ID3H-INDOLE-5,6-DIOLA1F9B0.72
3ID3H-INDOLE-5,6-DIOLA1OYO0.72
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE
A2PE00.7
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.73
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWI0.72
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.78
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID
D,H1NZQ0.71