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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255549

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AP2-AMINOPYRIDINEA1AEO0.92
4AP4-AMINOPYRIDINEA1AEG0.79
26DPYRIDINE-2,6-DIAMINEA2ANZ0.84
1SQISOQUINOLIN-1-AMINEA2OHK0.8
2AQQUINOLIN-2-AMINEA2OHL0.7
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.7
475N-[oxo(pyridin-2-ylamino)acetyl]-
beta-D-glucopyranosylamine
A3CUV0.71
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
2862-ethenyl-1-methylpyridiniumX2RC20.76
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
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.75
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.74
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.89
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.79
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
3AP3-AMINOPYRIDINEA1AEF0.82
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77