2bhj

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[[Image:2bhj.gif|left|200px]]
[[Image:2bhj.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2bhj |SIZE=350|CAPTION= <scene name='initialview01'>2bhj</scene>, resolution 3.2&Aring;
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The line below this paragraph, containing "STRUCTURE_2bhj", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Hbl+Binding+Site+For+Chain+A'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=FC1:THIOCOUMARIN'>FC1</scene>, <scene name='pdbligand=HBI:7,8-DIHYDROBIOPTERIN'>HBI</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase Nitric-oxide synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2bhj| PDB=2bhj | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bhj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bhj OCA], [http://www.ebi.ac.uk/pdbsum/2bhj PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bhj RCSB]</span>
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}}
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'''MURINE INO SYNTHASE WITH COUMARIN INHIBITOR'''
'''MURINE INO SYNTHASE WITH COUMARIN INHIBITOR'''
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[[Category: Guilloteau, J P.]]
[[Category: Guilloteau, J P.]]
[[Category: Mathieu, M.]]
[[Category: Mathieu, M.]]
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[[Category: calmodulin-binding]]
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[[Category: Calmodulin-binding]]
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[[Category: fad]]
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[[Category: Fad]]
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[[Category: fmn]]
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[[Category: Fmn]]
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[[Category: heme]]
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[[Category: Heme]]
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[[Category: ino]]
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[[Category: Ino]]
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[[Category: metal-binding]]
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[[Category: Metal-binding]]
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[[Category: nadp]]
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[[Category: Nadp]]
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[[Category: oxidoreductase]]
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[[Category: Oxidoreductase]]
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[[Category: polymorphism]]
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[[Category: Polymorphism]]
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[[Category: zinc]]
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[[Category: Zinc]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 20:17:41 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:06:30 2008''
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Revision as of 17:17, 3 May 2008

Image:2bhj.gif

Template:STRUCTURE 2bhj

MURINE INO SYNTHASE WITH COUMARIN INHIBITOR


Overview

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.

About this Structure

2BHJ is a Single protein structure of sequence from Mus musculus. Full crystallographic information is available from OCA.

Reference

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 Page seeded by OCA on Sat May 3 20:17:41 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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