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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03894754

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.71
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.71
3AP3-AMINOPYRIDINEA1AEF0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
3364-{2-[4-(3,10-DIBROMO-8-CHLORO-
6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-
2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE
B1O5M0.73
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.75
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.76
2755-amino-1,2-dimethylpyridiniumX2RBW0.74
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.79
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.72
1SQISOQUINOLIN-1-AMINEA2OHK0.72
2862-ethenyl-1-methylpyridiniumX2RC20.72
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.81
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.72
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.71