2FIX

Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors

2FIX の概要

• エントリーDOI: 10.2210/pdb2fix/pdb
• 関連するPDBエントリー: 2fhy 2fie
• 分子名称: Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE (2 entities in total)
• 機能のキーワード: allosteric inhibitors human liver fbpase, benzoxazole, intersubunit allosteric inhibitors of human liver fbpase, hydrolase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 149294.96

構造登録者

Abad-Zapatero, C. (登録日: 2005-12-30, 公開日: 2006-02-21, 最終更新日: 2023-08-30)

主引用文献

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

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

実験手法

X-RAY DIFFRACTION (3.5 Å)