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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01082523

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPYNAPHTHALENEA,B1O7G0.73
PCB4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-
TETRACHLOROBIPHENYL
A1UTR0.75
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.74
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.74
MAJindane-5-sulfonamideA2QOA0.74
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.7
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.7
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.88
TLD4-methylbenzene-1,2-dithiolA2Z940.7
SMLPHENYL METHYL SULFONEA,I1D6W0.73
SMLPHENYL METHYL SULFONEA,I1D9I0.73
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.85
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.85
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.85
PVS(ethenylsulfonyl)benzeneA3BLU0.72
NTSNAPHTHALENE TRISULFONATEA1RML0.88
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.71
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.71
BPSA,B2DE40.77
B69A2ZCR0.7
TOSP-SULFINOTOLUENEH1ETT0.72
TOSP-SULFINOTOLUENEI4PAD0.72
TOSP-SULFINOTOLUENEA1EST0.72
TOSP-SULFINOTOLUENEC,G2CHA0.72
TOSP-SULFINOTOLUENEE1PPH0.72
TSUPARA-TOLUENE SULFONATEA,B1WUW0.73
TSUPARA-TOLUENE SULFONATEA1B0D0.73