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TargetLiver carboxylesterase 1
LigandBDBM50171924
Substrate/Competitorn/a
Meas. Tech.ChEMBL_303802 (CHEMBL829851)
Ki 255±n/a nM
Citation Hyatt, JLStacy, VWadkins, RMYoon, KJWierdl, MEdwards, CCZeller, MHunter, ADDanks, MKCrundwell, GPotter, PM Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety. J Med Chem48:5543-50 (2005) [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:
BDBM50171924
n/a
NameBDBM50171924
Synonyms:1,2-Di-naphthalen-2-yl-ethane-1,2-dione | 1,2-di(naphthalen-2-yl)ethane-1,2-dione | CHEMBL189162
TypeSmall organic molecule
Emp. Form.C22H14O2
Mol. Mass.310.3454
SMILESO=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: