2fix: Difference between revisions

Revision as of 03:57, 4 May 2008

Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors

OverviewOverview

A series of novel benzoxazole benzenesulfonamides was synthesized as inhibitors of fructose-1,6-bisphosphatase (FBPase-1). Extensive SAR studies led to a potent inhibitor, 53, with an IC(50) of 0.57microM. Compound 17 exhibited excellent bioavailability and a good pharmacokinetic profile in rats.

About this StructureAbout this Structure

2FIX is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase., Lai C, Gum RJ, Daly M, Fry EH, Hutchins C, Abad-Zapatero C, von Geldern TW, Bioorg Med Chem Lett. 2006 Apr 1;16(7):1807-10. Epub 2006 Jan 30. PMID:16446092 Page seeded by OCA on Sun May 4 03:57:16 2008

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OCA

@@ Line 1: / Line 1: @@
 [[Image:2fix.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 2fix |SIZE=350|CAPTION= <scene name='initialview01'>2fix</scene>, resolution 3.50&Aring;
+The line below this paragraph, containing "STRUCTURE_2fix", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=870:N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE'>870</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Fructose-bisphosphatase Fructose-bisphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.11 3.1.3.11] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_2fix|  PDB=2fix  |  SCENE=  }}
-|RELATEDENTRY=[[2fhy|2fhy]], [[2fie|2fie]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2fix FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fix OCA], [http://www.ebi.ac.uk/pdbsum/2fix PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2fix RCSB]</span>
-}}
 '''Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors'''
@@ Line 27: / Line 24: @@
 [[Category: Single protein]]
 [[Category: Abad-Zapatero, C.]]
-[[Category: allosteric inhibitors human liver fbpase]]
+[[Category: Allosteric inhibitors human liver fbpase]]
-[[Category: benzoxazole]]
+[[Category: Benzoxazole]]
-[[Category: intersubunit allosteric inhibitors of human liver fbpase]]
+[[Category: Intersubunit allosteric inhibitors of human liver fbpase]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 03:57:16 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:03:22 2008''