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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03807724

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.73
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.73
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.86
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.86
BT6benzenethiolA,B,C,D3HSR0.88
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.79
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.79
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.79
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.79
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.79
SMLPHENYL METHYL SULFONEA,I1D6W0.89
SMLPHENYL METHYL SULFONEA,I1D9I0.89
PA0Phenylarsine oxideA3E3Z0.8
TSUPARA-TOLUENE SULFONATEA,B1WUW0.8
TSUPARA-TOLUENE SULFONATEA1B0D0.8
BNSHYDROSULFONYLBENZENE11YYY1
BNSHYDROSULFONYLBENZENEA1MEM1
BNSHYDROSULFONYLBENZENEA,D,E1FH01
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ91
BNZBENZENEA1L830.78
BNZBENZENEA1CP40.78
BNZBENZENEA,B,C,D1XXJ0.78
BNZBENZENEB1SWI0.78
BNZBENZENEA181L0.78
BNZBENZENEA223L0.78
BNZBENZENEA3DMX0.78
BNZBENZENEA2Z9G0.78
BNZBENZENEA220L0.78
BNZBENZENEA227L0.78
BNZBENZENEA,B1A7Z0.78
BNZBENZENEA1L840.78
MAJindane-5-sulfonamideA2QOA0.71
BPSA,B2DE40.72
PVS(ethenylsulfonyl)benzeneA3BLU0.87
TLD4-methylbenzene-1,2-dithiolA2Z940.71
PBCPHENYL BORONIC ACIDA2A320.8
PBCPHENYL BORONIC ACIDA1JU30.8
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.89
PIHIODOPHENYLA1UO50.74
PIHIODOPHENYLA3DNA0.74
PIHIODOPHENYLA1F9O0.74
PIHIODOPHENYLA,B1UO40.74
PIHIODOPHENYLA3DN40.74
TOSP-SULFINOTOLUENEH1ETT0.78
TOSP-SULFINOTOLUENEI4PAD0.78
TOSP-SULFINOTOLUENEA1EST0.78
TOSP-SULFINOTOLUENEC,G2CHA0.78
TOSP-SULFINOTOLUENEE1PPH0.78
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.93
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.93
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.93
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.93
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.93
PHGPHENYLMERCURYA1CZS0.78
PMSBENZYLSULFINIC ACIDB1PNM0.75
PMSBENZYLSULFINIC ACIDA,B1SH70.75
PMSBENZYLSULFINIC ACIDB,C1BB00.75
PMSBENZYLSULFINIC ACIDA,B1S2N0.75
PMSBENZYLSULFINIC ACIDA,B1WB80.75
PMSBENZYLSULFINIC ACIDA,B,C3CE40.75
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.75
PMSBENZYLSULFINIC ACIDA3H180.75
PMSBENZYLSULFINIC ACIDA3H170.75
PMSBENZYLSULFINIC ACIDA2CBG0.75
PMSBENZYLSULFINIC ACIDA1SUP0.75
PMSBENZYLSULFINIC ACIDA,B1V6C0.75
PMSBENZYLSULFINIC ACIDA,B1WPR0.75
PMSBENZYLSULFINIC ACIDA,B1EQ90.75
PMSBENZYLSULFINIC ACIDA,B1AUR0.75
PMSBENZYLSULFINIC ACIDA1KLT0.75
PMSBENZYLSULFINIC ACIDB,C1CA80.75
PMSBENZYLSULFINIC ACIDA2GKO0.75
PMSBENZYLSULFINIC ACIDB,C,D1BA80.75