2fie
From Proteopedia
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| - | [[Image:2fie.gif|left|200px]] | + | [[Image:2fie.gif|left|200px]] |
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| - | '''Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors''' | + | {{Structure |
| + | |PDB= 2fie |SIZE=350|CAPTION= <scene name='initialview01'>2fie</scene>, resolution 2.81Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=A74:2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE'>A74</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 inhibitors''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2FIE is a [ | + | 2FIE 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=2FIE 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]] | ||
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[[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 16:52:45 2008'' |
Revision as of 14:52, 20 March 2008
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| , resolution 2.81Å | |||||||
|---|---|---|---|---|---|---|---|
| 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 inhibitors
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
2FIE 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 16:52:45 2008
