2bhj | pdb_00002bhj

MURINE INO SYNTHASE WITH COUMARIN INHIBITOR

spinqualitylabelsall models 2bhj, resolution 3.20Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2bhj is a 1 chain structure with sequence from Mus musculus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: FC1, HBI, HEM Related: 1dd7, 1df1, 1dwv, 1dww, 1dwx, 1jwj, 1jwk, 1m8d, 1m8e, 1m8h, 1m8i, 1m9t, 1n2n, 1noc, 1nod, 1nos, 1qom, 1qw4, 1qw5, 1r35, 1vaf, 2nod, 2nos, 3nod Activity: Nitric-oxide synthase, with EC number 1.14.13.39 Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed Inducible nitric oxide synthase (iNOS) has been implicated in various central and peripheral pathophysiological diseases. Our high throughput screening initially identified a weak inhibitor of iNOS, thiocoumarin 13. From this lead, a number of potent derivatives were prepared that demonstrate favorable potency, selectivity and kinetics. Compound 30 has an IC50 of 60 nM for mouse iNOS and 185-fold and 9-fold selectivity for bovine eNOS and rat nNOS, respectively. In cellular assays for iNOS, this compound has micromolar potency. Furthermore, two compounds (16 and 30) demonstrate a reasonable pharmacokinetic profile in rodents. The synthesis, SAR, and biological activity of this novel class of compounds is described. Design, synthesis and characterization of a novel class of coumarin-based inhibitors of inducible nitric oxide synthase.,Jackson SA, Sahni S, Lee L, Luo Y, Nieduzak TR, Liang G, Chiang Y, Collar N, Fink D, He W, Laoui A, Merrill J, Boffey R, Crackett P, Rees B, Wong M, Guilloteau JP, Mathieu M, Rebello SS Bioorg Med Chem. 2005 Apr 15;13(8):2723-39. PMID:15781384 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Nitric Oxide Synthase

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