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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02688810

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MAJindane-5-sulfonamideA2QOA0.73
NTSNAPHTHALENE TRISULFONATEA1RML0.72
PVS(ethenylsulfonyl)benzeneA3BLU0.74
PCB4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-
TETRACHLOROBIPHENYL
A1UTR0.73
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.7
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.71
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.73
SMLPHENYL METHYL SULFONEA,I1D6W0.75
SMLPHENYL METHYL SULFONEA,I1D9I0.75
TLD4-methylbenzene-1,2-dithiolA2Z940.7
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.78
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.78
BPSA,B2DE40.79
TOSP-SULFINOTOLUENEH1ETT0.76
TOSP-SULFINOTOLUENEI4PAD0.76
TOSP-SULFINOTOLUENEA1EST0.76
TOSP-SULFINOTOLUENEC,G2CHA0.76
TOSP-SULFINOTOLUENEE1PPH0.76
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.76
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.76
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.76
TSUPARA-TOLUENE SULFONATEA,B1WUW0.77
TSUPARA-TOLUENE SULFONATEA1B0D0.77
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
B69A2ZCR0.74
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.74
BDBA,B1KE30.71