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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01085231

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.76
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.78
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.81
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.78
PMSBENZYLSULFINIC ACIDB1PNM0.79
PMSBENZYLSULFINIC ACIDA,B1SH70.79
PMSBENZYLSULFINIC ACIDB,C1BB00.79
PMSBENZYLSULFINIC ACIDA,B1S2N0.79
PMSBENZYLSULFINIC ACIDA,B1WB80.79
PMSBENZYLSULFINIC ACIDA,B,C3CE40.79
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.79
PMSBENZYLSULFINIC ACIDA3H180.79
PMSBENZYLSULFINIC ACIDA3H170.79
PMSBENZYLSULFINIC ACIDA2CBG0.79
PMSBENZYLSULFINIC ACIDA1SUP0.79
PMSBENZYLSULFINIC ACIDA,B1V6C0.79
PMSBENZYLSULFINIC ACIDA,B1WPR0.79
PMSBENZYLSULFINIC ACIDA,B1EQ90.79
PMSBENZYLSULFINIC ACIDA,B1AUR0.79
PMSBENZYLSULFINIC ACIDA1KLT0.79
PMSBENZYLSULFINIC ACIDB,C1CA80.79
PMSBENZYLSULFINIC ACIDA2GKO0.79
PMSBENZYLSULFINIC ACIDB,C,D1BA80.79
BNSHYDROSULFONYLBENZENE11YYY0.76
BNSHYDROSULFONYLBENZENEA1MEM0.76
BNSHYDROSULFONYLBENZENEA,D,E1FH00.76
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.76
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
NTSNAPHTHALENE TRISULFONATEA1RML0.73
MAJindane-5-sulfonamideA2QOA0.77
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.7
TLD4-methylbenzene-1,2-dithiolA2Z940.77
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.74
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.74
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.74
SMLPHENYL METHYL SULFONEA,I1D6W0.71
SMLPHENYL METHYL SULFONEA,I1D9I0.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.77
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.77
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.77
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.77
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
TOSP-SULFINOTOLUENEH1ETT0.86
TOSP-SULFINOTOLUENEI4PAD0.86
TOSP-SULFINOTOLUENEA1EST0.86
TOSP-SULFINOTOLUENEC,G2CHA0.86
TOSP-SULFINOTOLUENEE1PPH0.86
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
BPSA,B2DE40.78
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.79
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.79
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.73