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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03099091

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4AP4-AMINOPYRIDINEA1AEG0.79
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
3AP3-AMINOPYRIDINEA1AEF0.78
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.85
APY2-AMINOMETHYL-PYRIDINEI1IVP0.85
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.81
2AP2-AMINOPYRIDINEA1AEO0.72
2MI2-METHYL-1H-INDOLEA2PIO0.74
26DPYRIDINE-2,6-DIAMINEA2ANZ0.78
2AQQUINOLIN-2-AMINEA2OHL0.75
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.77
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
2862-ethenyl-1-methylpyridiniumX2RC20.84
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.7
264(phenylamino)acetonitrileA2RBN0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.83
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.77
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.77