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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03297032

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
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.71
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.72
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.72
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.75
I4BISOBUTYLBENZENEA184L0.7
PVS(ethenylsulfonyl)benzeneA3BLU0.84
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.73
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
TSUPARA-TOLUENE SULFONATEA,B1WUW0.82
TSUPARA-TOLUENE SULFONATEA1B0D0.82
FPRPROPYLBENZENEC1RHK0.72
MAJindane-5-sulfonamideA2QOA0.77
TOSP-SULFINOTOLUENEH1ETT0.81
TOSP-SULFINOTOLUENEI4PAD0.81
TOSP-SULFINOTOLUENEA1EST0.81
TOSP-SULFINOTOLUENEC,G2CHA0.81
TOSP-SULFINOTOLUENEE1PPH0.81
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.74
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.74
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.74
B69A2ZCR0.73
NTSNAPHTHALENE TRISULFONATEA1RML0.71
PMSBENZYLSULFINIC ACIDB1PNM0.78
PMSBENZYLSULFINIC ACIDA,B1SH70.78
PMSBENZYLSULFINIC ACIDB,C1BB00.78
PMSBENZYLSULFINIC ACIDA,B1S2N0.78
PMSBENZYLSULFINIC ACIDA,B1WB80.78
PMSBENZYLSULFINIC ACIDA,B,C3CE40.78
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.78
PMSBENZYLSULFINIC ACIDA3H180.78
PMSBENZYLSULFINIC ACIDA3H170.78
PMSBENZYLSULFINIC ACIDA2CBG0.78
PMSBENZYLSULFINIC ACIDA1SUP0.78
PMSBENZYLSULFINIC ACIDA,B1V6C0.78
PMSBENZYLSULFINIC ACIDA,B1WPR0.78
PMSBENZYLSULFINIC ACIDA,B1EQ90.78
PMSBENZYLSULFINIC ACIDA,B1AUR0.78
PMSBENZYLSULFINIC ACIDA1KLT0.78
PMSBENZYLSULFINIC ACIDB,C1CA80.78
PMSBENZYLSULFINIC ACIDA2GKO0.78
PMSBENZYLSULFINIC ACIDB,C,D1BA80.78
BPSA,B2DE40.75
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.81
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.81
N4BN-BUTYLBENZENEA186L0.72
PCB4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-
TETRACHLOROBIPHENYL
A1UTR0.71
BNSHYDROSULFONYLBENZENE11YYY0.73
BNSHYDROSULFONYLBENZENEA1MEM0.73
BNSHYDROSULFONYLBENZENEA,D,E1FH00.73
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.73
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.81
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.75
SMLPHENYL METHYL SULFONEA,I1D6W0.83
SMLPHENYL METHYL SULFONEA,I1D9I0.83
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
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.73