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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03512092

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.73
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.73
2MI2-METHYL-1H-INDOLEA2PIO0.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.79
2AP2-AMINOPYRIDINEA1AEO0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.88
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.81
3AP3-AMINOPYRIDINEA1AEF0.75
2SC(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-
a]pyrimidin-3-yl)methanol
A2R3O0.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.74
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.77
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.75
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.81
2AQQUINOLIN-2-AMINEA2OHL0.71
2862-ethenyl-1-methylpyridiniumX2RC20.75
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.71
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.75
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.73
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72