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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02229956

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
BT6benzenethiolA,B,C,D3HSR0.79
PVS(ethenylsulfonyl)benzeneA3BLU0.85
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.85
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
FPRPROPYLBENZENEC1RHK0.72
SMLPHENYL METHYL SULFONEA,I1D6W0.84
SMLPHENYL METHYL SULFONEA,I1D9I0.84
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
BNZBENZENEA1L830.7
BNZBENZENEA1CP40.7
BNZBENZENEA,B,C,D1XXJ0.7
BNZBENZENEB1SWI0.7
BNZBENZENEA181L0.7
BNZBENZENEA223L0.7
BNZBENZENEA3DMX0.7
BNZBENZENEA2Z9G0.7
BNZBENZENEA220L0.7
BNZBENZENEA227L0.7
BNZBENZENEA,B1A7Z0.7
BNZBENZENEA1L840.7
N4BN-BUTYLBENZENEA186L0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
BNSHYDROSULFONYLBENZENE11YYY0.73
BNSHYDROSULFONYLBENZENEA1MEM0.73
BNSHYDROSULFONYLBENZENEA,D,E1FH00.73
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.73
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
PHGPHENYLMERCURYA1CZS0.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.73