Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetLiver carboxylesterase 1
LigandBDBM50412691
Substrate/Competitorn/a
Meas. Tech.ChEMBL_560263 (CHEMBL1019602)
Ki 0.708±n/a nM
Citation Harada, TNakagawa, YWadkins, RMPotter, PMWheelock, CE Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis. Bioorg Med Chem17:149-64 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Liver carboxylesterase 1
Name:Liver carboxylesterase 1
Synonyms:Acyl coenzyme A:cholesterol acyltransferase | Acyl-CoA: cholesterol acyltransferase (ACAT) | CES1 | CES2 | EST1_HUMAN | SES1 | Serine hydrolase (CES1)
Type:Protein
Mol. Mass.:62520.83
Organism:Homo sapiens (Human)
Description:n/a
Residue:567
Sequence:
MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPL
GPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLN
IYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFST
GDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLF
HRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLK
MKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIP
MQLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDL
IADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPF
LKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLK
DKEVAFWTNLFAKKAVEKPPQTEHIEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50412691
n/a
NameBDBM50412691
Synonyms:CHEMBL449775
TypeSmall organic molecule
Emp. Form.C9H17F3O4S
Mol. Mass.278.289
SMILESCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: