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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00043562

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
26DPYRIDINE-2,6-DIAMINEA2ANZ0.74
3AP3-AMINOPYRIDINEA1AEF0.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
1SQISOQUINOLIN-1-AMINEA2OHK0.8
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.74
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.79
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.75
3BD7-amino-2-tert-butyl-4-(4-pyrimidin-
2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-
6-carboxamide
A3BAB0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine
A,C3EJ10.72
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.77
2AQQUINOLIN-2-AMINEA2OHL0.71
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.73
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.73
6NP6((S)-3-BENZYLPIPERAZIN-1-YL)-3-
(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-
YL)PYRAZINE
A1YQJ0.71
5SC3-((3-bromo-5-o-tolylpyrazolo[1,5-
a]pyrimidin-7-ylamino)methyl)pyridine 1-
oxide
A2R3Q0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
2AP2-AMINOPYRIDINEA1AEO0.81