Reaction Details Report a problem with these data
Target
Fatty-acid amide hydrolase 1
Ligand
BDBM50021331
Substrate
n/a
Meas. Tech.
ChEMBL_1366315 (CHEMBL3295961)
IC50
32±n/a nM
Citation
 Chobanian, HR; Guo, Y; Liu, P; Chioda, MD; Fung, S; Lanza, TJ; Chang, L; Bakshi, RK; Dellureficio, JP; Hong, Q; McLaughlin, M; Belyk, KM; Krska, SW; Makarewicz, AK; Martel, EJ; Leone, JF; Frey, L; Karanam, B; Madeira, M; Alvaro, R; Shuman, J; Salituro, G; Terebetski, JL; Jochnowitz, N; Mistry, S; McGowan, E; Hajdu, R; Rosenbach, M; Abbadie, C; Alexander, JP; Shiao, LL; Sullivan, KM; Nargund, RP; Wyvratt, MJ; Lin, LS; DeVita, RJ Discovery of MK-4409, a Novel Oxazole FAAH Inhibitor for the Treatment of Inflammatory and Neuropathic Pain. ACS Med Chem Lett 5:717-21 (2014) [PubMed]  Article 
Target
Name:
Fatty-acid amide hydrolase 1
Synonyms:
Anandamide amidohydrolase | Anandamide amidohydrolase 1 | FAAH | FAAH1 | FAAH1_HUMAN | Fatty Acid Amide Hydrolase (FAAH) | Fatty-acid amide hydrolase (FAAH) | Fatty-acid amide hydrolase 1 | Oleamide hydrolase 1
Type:
Protein
Mol. Mass.:
63071.19
Organism:
Homo sapiens (Human)
Description:
O00519
Residue:
579
Sequence:
MVQYELWAALPGASGVALACCFVAAAVALRWSGRRTARGAVVRARQRQRAGLENMDRAAQRFRLQNPDLDSEALLALPLPQLVQKLHSRELAPEAVLFTYVGKAWEVNKGTNCVTSYLADCETQLSQAPRQGLLYGVPVSLKECFTYKGQDSTLGLSLNEGVPAECDSVVVHVLKLQGAVPFVHTNVPQSMFSYDCSNPLFGQTVNPWKSSKSPGGSSGGEGALIGSGGSPLGLGTDIGGSIRFPSSFCGICGLKPTGNRLSKSGLKGCVYGQEAVRLSVGPMARDVESLALCLRALLCEDMFRLDPTVPPLPFREEVYTSSQPLRVGYYETDNYTMPSPAMRRAVLETKQSLEAAGHTLVPFLPSNIPHALETLSTGGLFSDGGHTFLQNFKGDFVDPCLGDLVSILKLPQWLKGLLAFLVKPLLPRLSAFLSNMKSRSAGKLWELQHEIEVYRKTVIAQWRALDLDVVLTPMLAPALDLNAPGRATGAVSYTMLYNCLDFPAGVVPVTTVTAEDEAQMEHYRGYFGDIWDKMLQKGMKKSVGLPVAVQCVALPWQEELCLRFMREVERLMTPEKQSS
  
Inhibitor
Name:
BDBM50021331
Synonyms:
CHEMBL3287930
Type:
Small organic molecule
Emp. Form.:
C22H18ClFN4OS
Mol. Mass.:
440.921
SMILES:
CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: