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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03820054

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
3AP3-AMINOPYRIDINEA1AEF0.77
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
2AP2-AMINOPYRIDINEA1AEO0.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.76
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.82
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.81
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.72
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.7
2MI2-METHYL-1H-INDOLEA2PIO0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.85
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.79
4AP4-AMINOPYRIDINEA1AEG0.78
3MP3-METHYLPYRIDINEA1EUB0.82
3MP3-METHYLPYRIDINEA1BM60.82
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.7
1SQISOQUINOLIN-1-AMINEA2OHK0.77
2862-ethenyl-1-methylpyridiniumX2RC20.78