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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02222523

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.74
STF(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-
1,3-THIAZOL-4-ONE
A2EXG0.71
HY1PHENYLACETALDEHYDED,H2I0S0.84
HY1PHENYLACETALDEHYDEA,B1D6Y0.84
HY1PHENYLACETALDEHYDEA,B1D6Z0.84
HY1PHENYLACETALDEHYDED,H2OK40.84
HY1PHENYLACETALDEHYDEA,B1D6U0.84
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
1LPTRANYLCYPROMINEA,B1OJB0.8
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.8
BZQDIPHENYLMETHANONEA,B1GT50.71
BZQDIPHENYLMETHANONEA,B1DZP0.71
3PL3-PHENYLPROPANALE1Y3G0.83
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.77
HBXbenzaldehydeA,B3GDN0.75
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71