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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01251737

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
F5B1,2,3,4,5-pentafluorobenzeneA3DN00.83
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.81
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
BNSHYDROSULFONYLBENZENE11YYY0.81
BNSHYDROSULFONYLBENZENEA1MEM0.81
BNSHYDROSULFONYLBENZENEA,D,E1FH00.81
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.81
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
PBCPHENYL BORONIC ACIDA2A320.75
PBCPHENYL BORONIC ACIDA1JU30.75
SMLPHENYL METHYL SULFONEA,I1D6W0.73
SMLPHENYL METHYL SULFONEA,I1D9I0.73
PVS(ethenylsulfonyl)benzeneA3BLU0.72
TLD4-methylbenzene-1,2-dithiolA2Z940.72
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.81
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.81
HFBhexafluorobenzeneA3DMZ0.72
PA0Phenylarsine oxideA3E3Z0.78
PIHIODOPHENYLA1UO50.75
PIHIODOPHENYLA3DNA0.75
PIHIODOPHENYLA1F9O0.75
PIHIODOPHENYLA,B1UO40.75
PIHIODOPHENYLA3DN40.75
BT6benzenethiolA,B,C,D3HSR0.89