Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetLiver carboxylesterase 1
LigandBDBM50073973
Substrate/Competitorn/a
Meas. Tech.ChEMBL_305902 (CHEMBL832566)
IC50 5000±n/a nM
Citation Leung, DDu, WHardouin, CCheng, HHwang, ICravatt, BFBoger, DL Discovery of an exceptionally potent and selective class of fatty acid amide hydrolase inhibitors enlisting proteome-wide selectivity screening: concurrent optimization of enzyme inhibitor potency and selectivity. Bioorg Med Chem Lett15:1423-8 (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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50073973
n/a
NameBDBM50073973
Synonyms:(E)-1,1,1-Trifluoro-nonadec-10-en-2-one | 1,1,1-Trifluoro-nonadec-10-en-2-one | CHEMBL329187
TypeSmall organic molecule
Emp. Form.C19H33F3O
Mol. Mass.334.4599
SMILESCCCCCCCC\C=C\CCCCCCCC(=O)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: