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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03533859

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TLD4-methylbenzene-1,2-dithiolA2Z940.75
MAJindane-5-sulfonamideA2QOA0.75
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.78
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.78
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.78
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.71
BPSA,B2DE40.8
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.71
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.76
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
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.77
B69A2ZCR0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.82
TSUPARA-TOLUENE SULFONATEA1B0D0.82
NTSNAPHTHALENE TRISULFONATEA1RML0.74
TOSP-SULFINOTOLUENEH1ETT0.81
TOSP-SULFINOTOLUENEI4PAD0.81
TOSP-SULFINOTOLUENEA1EST0.81
TOSP-SULFINOTOLUENEC,G2CHA0.81
TOSP-SULFINOTOLUENEE1PPH0.81
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
PMSBENZYLSULFINIC ACIDB1PNM0.74
PMSBENZYLSULFINIC ACIDA,B1SH70.74
PMSBENZYLSULFINIC ACIDB,C1BB00.74
PMSBENZYLSULFINIC ACIDA,B1S2N0.74
PMSBENZYLSULFINIC ACIDA,B1WB80.74
PMSBENZYLSULFINIC ACIDA,B,C3CE40.74
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.74
PMSBENZYLSULFINIC ACIDA3H180.74
PMSBENZYLSULFINIC ACIDA3H170.74
PMSBENZYLSULFINIC ACIDA2CBG0.74
PMSBENZYLSULFINIC ACIDA1SUP0.74
PMSBENZYLSULFINIC ACIDA,B1V6C0.74
PMSBENZYLSULFINIC ACIDA,B1WPR0.74
PMSBENZYLSULFINIC ACIDA,B1EQ90.74
PMSBENZYLSULFINIC ACIDA,B1AUR0.74
PMSBENZYLSULFINIC ACIDA1KLT0.74
PMSBENZYLSULFINIC ACIDB,C1CA80.74
PMSBENZYLSULFINIC ACIDA2GKO0.74
PMSBENZYLSULFINIC ACIDB,C,D1BA80.74
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.71
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.72
SMLPHENYL METHYL SULFONEA,I1D6W0.8
SMLPHENYL METHYL SULFONEA,I1D9I0.8
BDBA,B1KE30.71
BNSHYDROSULFONYLBENZENE11YYY0.73
BNSHYDROSULFONYLBENZENEA1MEM0.73
BNSHYDROSULFONYLBENZENEA,D,E1FH00.73
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.73
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.71
PVS(ethenylsulfonyl)benzeneA3BLU0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.75
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.79
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.79