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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020167

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PVS(ethenylsulfonyl)benzeneA3BLU0.89
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.75
SMLPHENYL METHYL SULFONEA,I1D6W0.85
SMLPHENYL METHYL SULFONEA,I1D9I0.85
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.75
BNSHYDROSULFONYLBENZENE11YYY0.77
BNSHYDROSULFONYLBENZENEA1MEM0.77
BNSHYDROSULFONYLBENZENEA,D,E1FH00.77
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.77
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.7
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.75
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.73