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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02243506

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.73
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.75
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.75
BML4-BROMOPHENOLA,B,E3DHH0.79
BML4-BROMOPHENOLA,B1XU30.79
BML4-BROMOPHENOLA,B1T0S0.79
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.74
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.77
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.77
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.71
HTS2-MERCAPTOPHENOLA2OSM0.76
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.75
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.73
TBP2,4,6-TRIBROMOPHENOLL1E5A0.75
2BR2-BROMOPHENOLA,B,C,D2A9W0.77