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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02324198

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.72
4AP4-AMINOPYRIDINEA1AEG0.79
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.73
3AP3-AMINOPYRIDINEA1AEF0.78
2AP2-AMINOPYRIDINEA1AEO0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
2862-ethenyl-1-methylpyridiniumX2RC20.76
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.73
1SQISOQUINOLIN-1-AMINEA2OHK0.73
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.72
3MP3-METHYLPYRIDINEA1EUB0.83
3MP3-METHYLPYRIDINEA1BM60.83
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.86
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.74
2SC(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-
a]pyrimidin-3-yl)methanol
A2R3O0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72