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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02367015

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.81
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.81
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.81
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.81
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.81
NTSNAPHTHALENE TRISULFONATEA1RML0.72
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.75
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.75
TOSP-SULFINOTOLUENEH1ETT0.71
TOSP-SULFINOTOLUENEI4PAD0.71
TOSP-SULFINOTOLUENEA1EST0.71
TOSP-SULFINOTOLUENEC,G2CHA0.71
TOSP-SULFINOTOLUENEE1PPH0.71
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.71
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.71
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.74
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.74
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.77
BPSA,B2DE40.75
BNSHYDROSULFONYLBENZENE11YYY0.86
BNSHYDROSULFONYLBENZENEA1MEM0.86
BNSHYDROSULFONYLBENZENEA,D,E1FH00.86
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.86
PVS(ethenylsulfonyl)benzeneA3BLU0.81
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.74
SMLPHENYL METHYL SULFONEA,I1D6W0.8
SMLPHENYL METHYL SULFONEA,I1D9I0.8
BT6benzenethiolA,B,C,D3HSR0.75
TSUPARA-TOLUENE SULFONATEA,B1WUW0.73
TSUPARA-TOLUENE SULFONATEA1B0D0.73