Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM23053
Substrate
BDBM23139
Meas. Tech.
FAAH Inhibition Assay
Temperature
298.15±n/a K
IC50
200±n/a nM
Comments
extracted
Citation
Hardouin, C; Kelso, MJ; Romero, FA; Rayl, TJ; Leung, D; Hwang, I; Cravatt, BF; Boger, DL Structure-activity relationships of alpha-ketooxazole inhibitors of fatty acid amide hydrolase. J Med Chem 50:3359-68 (2007) [PubMed] Article
More Info.:
Target
Name:
Carboxylic ester hydrolase
Synonyms:
Carboxylesterase 3 precursor | TGH | Triacylglycerol Hydrolase
Type:
Homotrimer; type-B carboxylesterase/lipase family
Mol. Mass.:
61960.20
Organism:
Homo sapiens (Human)
Description:
Q8TDZ9
Residue:
565
Sequence:
MWLFDLVLTSLATSMAWGYPSLPPVVDTVQGKVLGKYVSLEGFAQPVAVFLGVPFAKPPLGPLRFAPPQAAEPWNFVKNTTSYPPMCSQDAVGGQVLSELFTNRKDNIPLKFSEDCLYLNIYTPADLTKNSRLPVMVWIHGGGLVVGGASTYDGLALSAHENVVVVTIQYRLGIWGFFSTGDEHGRGNWGHLDQLAALRWVQENIANFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTAALVKKDMKDTAQQIAVFAGCKSTTSAVLVHCLRQKTEDELLEVSLKLKFFTLDLLGDPRESYPFLPTVVDGVLLPKMPQEILAEKKFNSVPYIIGINKQEFGWLLPMMMGYPLSEDKLDQKTASSLLWKSYPIANIPEELTPLASEKYLGGTDDPVKKKALFLDMLGDVVFGVPSVTVARHHRDAGAPTYMYEFQYHPSFSSDMKPQTVVGDHGDELFSVFGAPFLKGGASEEEIRLSKMMMKLWANFARSGNPMGKGCSSWPAYDQKEGYLQIGIPTQPAQKLKSKEMAFWTELLAKRAAEKLSPTEHVEL
Inhibitor
Name:
BDBM23053
Synonyms:
1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one | alpha-ketooxazole, 5y
Type:
Small organic molecule
Emp. Form.:
C22H21F3N2O2
Mol. Mass.:
402.4095
SMILES:
FC(F)(F)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1