2FIE

Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors

Summary for 2FIE

Entry DOI	10.2210/pdb2fie/pdb
Related	2fhy 2FIX
Descriptor	Fructose-1,6-bisphosphatase 1, 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE (3 entities in total)
Functional Keywords	allosteric inhibitors human liver fbpase, benzoxazole, intersubunit allosteric inhibitors of human liver fbpase, hydrolase
Biological source	Homo sapiens (human)
Total number of polymer chains	4
Total formula weight	149358.96
Authors	Abad-Zapatero, C. (deposition date: 2005-12-29, release date: 2006-02-21, Last modification date: 2023-08-30)
Primary citation	Lai, C.,Gum, R.J.,Daly, M.,Fry, E.H.,Hutchins, C.,Abad-Zapatero, C.,von Geldern, T.W. Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase. Bioorg.Med.Chem.Lett., 16:1807-1810, 2006 Cited by PubMed Abstract: 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. PubMed: 16446092 DOI: 10.1016/j.bmcl.2006.01.014 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.81 Å)

Structure validation