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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03622297

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BT6benzenethiolA,B,C,D3HSR0.94
PVS(ethenylsulfonyl)benzeneA3BLU0.75
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
SMLPHENYL METHYL SULFONEA,I1D6W0.77
SMLPHENYL METHYL SULFONEA,I1D9I0.77
PIHIODOPHENYLA1UO50.8
PIHIODOPHENYLA3DNA0.8
PIHIODOPHENYLA1F9O0.8
PIHIODOPHENYLA,B1UO40.8
PIHIODOPHENYLA3DN40.8
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.8
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.8
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.8
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.8
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.8
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
PA0Phenylarsine oxideA3E3Z0.83
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.74
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.74
F5B1,2,3,4,5-pentafluorobenzeneA3DN00.71
PHGPHENYLMERCURYA1CZS0.84
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.77
BNSHYDROSULFONYLBENZENE11YYY0.86
BNSHYDROSULFONYLBENZENEA1MEM0.86
BNSHYDROSULFONYLBENZENEA,D,E1FH00.86
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.86
PBCPHENYL BORONIC ACIDA2A320.8
PBCPHENYL BORONIC ACIDA1JU30.8
TLD4-methylbenzene-1,2-dithiolA2Z940.81
TOSP-SULFINOTOLUENEH1ETT0.7
TOSP-SULFINOTOLUENEI4PAD0.7
TOSP-SULFINOTOLUENEA1EST0.7
TOSP-SULFINOTOLUENEC,G2CHA0.7
TOSP-SULFINOTOLUENEE1PPH0.7
BNZBENZENEA1L830.84
BNZBENZENEA1CP40.84
BNZBENZENEA,B,C,D1XXJ0.84
BNZBENZENEB1SWI0.84
BNZBENZENEA181L0.84
BNZBENZENEA223L0.84
BNZBENZENEA3DMX0.84
BNZBENZENEA2Z9G0.84
BNZBENZENEA220L0.84
BNZBENZENEA227L0.84
BNZBENZENEA,B1A7Z0.84
BNZBENZENEA1L840.84