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TargetLiver carboxylesterase 1
LigandBDBM22731
Substrate/Competitorn/a
Meas. Tech.ChEMBL_560257 (CHEMBL1019596)
Ki 181.97±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
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  Blast E-value cutoff:
BDBM22731
n/a
NameBDBM22731
Synonyms:1,2-bis(4-chlorophenyl)ethane-1,2-dione | Benzil-based compound, 9
TypeSmall organic molecule
Emp. Form.C14H8Cl2O2
Mol. Mass.279.118
SMILESClc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1
Structure
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