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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02343098

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
2862-ethenyl-1-methylpyridiniumX2RC20.8
4AP4-AMINOPYRIDINEA1AEG0.76
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.82
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.75
2AQQUINOLIN-2-AMINEA2OHL0.74
26DPYRIDINE-2,6-DIAMINEA2ANZ0.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.81
2AP2-AMINOPYRIDINEA1AEO0.7
3AP3-AMINOPYRIDINEA1AEF0.75
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.72
2MI2-METHYL-1H-INDOLEA2PIO0.74
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.72
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.74
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.75
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.8
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.7