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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005252

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PBCPHENYL BORONIC ACIDA2A320.7
PBCPHENYL BORONIC ACIDA1JU30.7
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.79
BNSHYDROSULFONYLBENZENE11YYY0.87
BNSHYDROSULFONYLBENZENEA1MEM0.87
BNSHYDROSULFONYLBENZENEA,D,E1FH00.87
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.87
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.72
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.72
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.72
NTSNAPHTHALENE TRISULFONATEA1RML0.73
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.7
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.7
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.82
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.82
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.82
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.82
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.82
BPSA,B2DE40.76
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.76
SMLPHENYL METHYL SULFONEA,I1D6W0.81
SMLPHENYL METHYL SULFONEA,I1D9I0.81
BT6benzenethiolA,B,C,D3HSR0.77
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.76
PVS(ethenylsulfonyl)benzeneA3BLU0.83
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.75
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.75
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.75
TSUPARA-TOLUENE SULFONATEA,B1WUW0.74
TSUPARA-TOLUENE SULFONATEA1B0D0.74
TOSP-SULFINOTOLUENEH1ETT0.72
TOSP-SULFINOTOLUENEI4PAD0.72
TOSP-SULFINOTOLUENEA1EST0.72
TOSP-SULFINOTOLUENEC,G2CHA0.72
TOSP-SULFINOTOLUENEE1PPH0.72
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.75