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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002755

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.78
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine
A,C3EJ10.71
4AP4-AMINOPYRIDINEA1AEG0.76
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
2AQQUINOLIN-2-AMINEA2OHL0.7
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.7
1SQISOQUINOLIN-1-AMINEA2OHK0.79
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.73
3AP3-AMINOPYRIDINEA1AEF0.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.72
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.85
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
2862-ethenyl-1-methylpyridiniumX2RC20.75
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine
A3CUV0.72
26DPYRIDINE-2,6-DIAMINEA2ANZ0.81
2AP2-AMINOPYRIDINEA1AEO0.88
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77