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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02266657

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
SMLPHENYL METHYL SULFONEA,I1D6W0.95
SMLPHENYL METHYL SULFONEA,I1D9I0.95
PBCPHENYL BORONIC ACIDA2A320.7
PBCPHENYL BORONIC ACIDA1JU30.7
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.79
BNSHYDROSULFONYLBENZENE11YYY0.87
BNSHYDROSULFONYLBENZENEA1MEM0.87
BNSHYDROSULFONYLBENZENEA,D,E1FH00.87
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.87
TSUPARA-TOLUENE SULFONATEA,B1WUW0.76
TSUPARA-TOLUENE SULFONATEA1B0D0.76
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
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
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.76
BT6benzenethiolA,B,C,D3HSR0.77
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.76
TOSP-SULFINOTOLUENEH1ETT0.75
TOSP-SULFINOTOLUENEI4PAD0.75
TOSP-SULFINOTOLUENEA1EST0.75
TOSP-SULFINOTOLUENEC,G2CHA0.75
TOSP-SULFINOTOLUENEE1PPH0.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.77
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.77
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.77
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.77
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.77
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.77
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.77
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.77
PVS(ethenylsulfonyl)benzeneA3BLU0.94