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2fix
From Proteopedia
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| - | [[Image:2fix.gif|left|200px]] | + | [[Image:2fix.gif|left|200px]] |
| - | + | ||
| - | '''Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors''' | + | {{Structure |
| + | |PDB= 2fix |SIZE=350|CAPTION= <scene name='initialview01'>2fix</scene>, resolution 3.50Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=870:N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE'>870</scene> | ||
| + | |ACTIVITY= [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] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2FIX is a [ | + | 2FIX is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FIX OCA]. |
==Reference== | ==Reference== | ||
| - | 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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/16446092 16446092] |
[[Category: Fructose-bisphosphatase]] | [[Category: Fructose-bisphosphatase]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| Line 23: | Line 32: | ||
[[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 Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:52:55 2008'' |
Revision as of 14:52, 20 March 2008
| |||||||
| , resolution 3.50Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | Fructose-bisphosphatase, with EC number 3.1.3.11 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors
Contents |
Overview
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.
Disease
Known disease associated with this structure: Fructose-1,6-bidphosphatase deficiency OMIM:[611570]
About this Structure
2FIX is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
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 Thu Mar 20 16:52:55 2008
