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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020492

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BT6benzenethiolA,B,C,D3HSR0.89
F5B1,2,3,4,5-pentafluorobenzeneA3DN00.83
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.81
BNSHYDROSULFONYLBENZENE11YYY0.81
BNSHYDROSULFONYLBENZENEA1MEM0.81
BNSHYDROSULFONYLBENZENEA,D,E1FH00.81
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.81
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.81
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.81
BNZBENZENEA1L830.79
BNZBENZENEA1CP40.79
BNZBENZENEA,B,C,D1XXJ0.79
BNZBENZENEB1SWI0.79
BNZBENZENEA181L0.79
BNZBENZENEA223L0.79
BNZBENZENEA3DMX0.79
BNZBENZENEA2Z9G0.79
BNZBENZENEA220L0.79
BNZBENZENEA227L0.79
BNZBENZENEA,B1A7Z0.79
BNZBENZENEA1L840.79
PHGPHENYLMERCURYA1CZS0.79
PA0Phenylarsine oxideA3E3Z0.78
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.76
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.76
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.76
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.76
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.76
PBCPHENYL BORONIC ACIDA2A320.75
PBCPHENYL BORONIC ACIDA1JU30.75
PIHIODOPHENYLA1UO50.75
PIHIODOPHENYLA3DNA0.75
PIHIODOPHENYLA1F9O0.75
PIHIODOPHENYLA,B1UO40.75
PIHIODOPHENYLA3DN40.75
SMLPHENYL METHYL SULFONEA,I1D6W0.73
SMLPHENYL METHYL SULFONEA,I1D9I0.73
PVS(ethenylsulfonyl)benzeneA3BLU0.72
TLD4-methylbenzene-1,2-dithiolA2Z940.72
HFBhexafluorobenzeneA3DMZ0.72