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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03264073

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1SQISOQUINOLIN-1-AMINEA2OHK0.8
2AQQUINOLIN-2-AMINEA2OHL0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.76
3MP3-METHYLPYRIDINEA1EUB0.86
3MP3-METHYLPYRIDINEA1BM60.86
2AP2-AMINOPYRIDINEA1AEO0.78
2862-ethenyl-1-methylpyridiniumX2RC20.81
26DPYRIDINE-2,6-DIAMINEA2ANZ0.7
4AP4-AMINOPYRIDINEA1AEG0.8
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.75
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.8
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.76
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.91
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.72
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.74
3AP3-AMINOPYRIDINEA1AEF0.8
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.72
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.77