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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010514

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SMLPHENYL METHYL SULFONEA,I1D6W0.86
SMLPHENYL METHYL SULFONEA,I1D9I0.86
PBCPHENYL BORONIC ACIDA2A320.72
PBCPHENYL BORONIC ACIDA1JU30.72
PVS(ethenylsulfonyl)benzeneA3BLU0.9
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.82
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.7
PHGPHENYLMERCURYA1CZS0.75
PIHIODOPHENYLA1UO50.72
PIHIODOPHENYLA3DNA0.72
PIHIODOPHENYLA1F9O0.72
PIHIODOPHENYLA,B1UO40.72
PIHIODOPHENYLA3DN40.72
BNSHYDROSULFONYLBENZENE11YYY0.78
BNSHYDROSULFONYLBENZENEA1MEM0.78
BNSHYDROSULFONYLBENZENEA,D,E1FH00.78
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.78
PA0Phenylarsine oxideA3E3Z0.74
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.73
TLD4-methylbenzene-1,2-dithiolA2Z940.71
BNZBENZENEA1L830.75
BNZBENZENEA1CP40.75
BNZBENZENEA,B,C,D1XXJ0.75
BNZBENZENEB1SWI0.75
BNZBENZENEA181L0.75
BNZBENZENEA223L0.75
BNZBENZENEA3DMX0.75
BNZBENZENEA2Z9G0.75
BNZBENZENEA220L0.75
BNZBENZENEA227L0.75
BNZBENZENEA,B1A7Z0.75
BNZBENZENEA1L840.75
BT6benzenethiolA,B,C,D3HSR0.84
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71