Reaction Details Report a problem with these data
Target
Carboxylic ester hydrolase
Ligand
BDBM23055
Substrate
BDBM23139
Meas. Tech.
FAAH Inhibition Assay
Temperature
298.15±n/a K
IC50
10000±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 
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:
BDBM23055
Synonyms:
alpha-ketooxazole, 5aa | methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
Type:
Small organic molecule
Emp. Form.:
C23H24N2O4
Mol. Mass.:
392.4477
SMILES:
COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM23139
Synonyms:
4-Nitrophenyl dodecanoate | 4-Nitrophenyl laurate | p-Nitrophenyl laurate
Type:
n/a
Emp. Form.:
C18H27NO4
Mol. Mass.:
321.4113
SMILES:
CCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: