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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03650324

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.75
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.71
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.87
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.79
2AP2-AMINOPYRIDINEA1AEO0.7
2AQQUINOLIN-2-AMINEA2OHL0.73
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.79
2MI2-METHYL-1H-INDOLEA2PIO0.74
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.77
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.73
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.79
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.77
1SQISOQUINOLIN-1-AMINEA2OHK0.77
2862-ethenyl-1-methylpyridiniumX2RC20.77
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.73
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.82
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.72