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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011000

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TLD4-methylbenzene-1,2-dithiolA2Z940.75
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.71
BNSHYDROSULFONYLBENZENE11YYY0.79
BNSHYDROSULFONYLBENZENEA1MEM0.79
BNSHYDROSULFONYLBENZENEA,D,E1FH00.79
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.79
PBCPHENYL BORONIC ACIDA2A320.73
PBCPHENYL BORONIC ACIDA1JU30.73
PVS(ethenylsulfonyl)benzeneA3BLU0.86
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.8
BNZBENZENEA1L830.77
BNZBENZENEA1CP40.77
BNZBENZENEA,B,C,D1XXJ0.77
BNZBENZENEB1SWI0.77
BNZBENZENEA181L0.77
BNZBENZENEA223L0.77
BNZBENZENEA3DMX0.77
BNZBENZENEA2Z9G0.77
BNZBENZENEA220L0.77
BNZBENZENEA227L0.77
BNZBENZENEA,B1A7Z0.77
BNZBENZENEA1L840.77
BT6benzenethiolA,B,C,D3HSR0.86
PIHIODOPHENYLA1UO50.73
PIHIODOPHENYLA3DNA0.73
PIHIODOPHENYLA1F9O0.73
PIHIODOPHENYLA,B1UO40.73
PIHIODOPHENYLA3DN40.73
PHGPHENYLMERCURYA1CZS0.77
SMLPHENYL METHYL SULFONEA,I1D6W0.9
SMLPHENYL METHYL SULFONEA,I1D9I0.9
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.74
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.74
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.74
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.74
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.74
PA0Phenylarsine oxideA3E3Z0.75