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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03020336

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2862-ethenyl-1-methylpyridiniumX2RC20.83
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
2MI2-METHYL-1H-INDOLEA2PIO0.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.76
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.79
2AP2-AMINOPYRIDINEA1AEO0.7
2AQQUINOLIN-2-AMINEA2OHL0.73
3AP3-AMINOPYRIDINEA1AEF0.79
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.73
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.72
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.88
APY2-AMINOMETHYL-PYRIDINEI1IVP0.88
4AP4-AMINOPYRIDINEA1AEG0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.83
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
26DPYRIDINE-2,6-DIAMINEA2ANZ0.76