4HBP
Crystal Structure of FAAH in complex with inhibitor
Summary for 4HBP
| Entry DOI | 10.2210/pdb4hbp/pdb |
| Descriptor | Fatty-acid amide hydrolase 1, 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide (3 entities in total) |
| Functional Keywords | fatty acid amide hydrolase, amidase activity, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Rattus norvegicus (brown rat,rat,rats) |
| Cellular location | Endoplasmic reticulum membrane; Single-pass membrane protein: P97612 |
| Total number of polymer chains | 2 |
| Total formula weight | 121784.58 |
| Authors | Behnke, C.,Skene, R.J. (deposition date: 2012-09-28, release date: 2013-02-06, Last modification date: 2024-11-20) |
| Primary citation | Kono, M.,Matsumoto, T.,Kawamura, T.,Nishimura, A.,Kiyota, Y.,Oki, H.,Miyazaki, J.,Igaki, S.,Behnke, C.A.,Shimojo, M.,Kori, M. Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors. Bioorg.Med.Chem., 21:28-41, 2013 Cited by PubMed Abstract: A series of piperazine ureas was designed, synthesized, and evaluated for their potential as novel orally available fatty acid amide hydrolase (FAAH) inhibitors that are therapeutically effective against pain. We carried out an optimization study of the lead compound 3 to improve its DMPK profile as well as in vitro potency. We identified the thiazole compound 60j with potent inhibitory activity, high brain permeability, and good bioavailability. Compound 60j showed a potent and dose-dependent anti-nociceptive effect in the acetic acid-induced writhing test in mice. PubMed: 23218778DOI: 10.1016/j.bmc.2012.11.006 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.91 Å) |
Structure validation
Download full validation report
