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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03590248

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4AP4-AMINOPYRIDINEA1AEG0.79
1SQISOQUINOLIN-1-AMINEA2OHK0.82
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.71
2AP2-AMINOPYRIDINEA1AEO0.93
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
26DPYRIDINE-2,6-DIAMINEA2ANZ0.86
3AP3-AMINOPYRIDINEA1AEF0.79
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.74
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.72
2AQQUINOLIN-2-AMINEA2OHL0.71
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.71
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.86
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.74
2862-ethenyl-1-methylpyridiniumX2RC20.78
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.82
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.77