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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03446277

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
2AQQUINOLIN-2-AMINEA2OHL0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.78
2AP2-AMINOPYRIDINEA1AEO0.74
3AP3-AMINOPYRIDINEA1AEF0.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.78
2862-ethenyl-1-methylpyridiniumX2RC20.79
1SQISOQUINOLIN-1-AMINEA2OHK0.81
2MI2-METHYL-1H-INDOLEA2PIO0.71
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.79
3MP3-METHYLPYRIDINEA1EUB0.83
3MP3-METHYLPYRIDINEA1BM60.83
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.84
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
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
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.91
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.71
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.7