PDBsum entry 2fix

Hydrolase

PDB id: 2fix

Contents

Protein chain

319 a.a.

Ligands

870 ×4

References listed in PDB file

Key reference

• Title: Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-Bisphosphatase.
• Authors: C.Lai, R.J.Gum, M.Daly, E.H.Fry, C.Hutchins, C.Abad-Zapatero, T.W.Von geldern.
• Ref.: Bioorg Med Chem Lett, 2006, 16, 1807-1810. [DOI no: 10.1016/j.bmcl.2006.01.014]
• PubMed id: 16446092

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.

Secondary reference #1

• Title: Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-Bisphosphatase with a distinct binding mode.
• Authors: T.W.Von geldern, C.Lai, R.J.Gum, M.Daly, C.Sun, E.H.Fry, C.Abad-Zapatero.
• Ref.: Bioorg Med Chem Lett, 2006, 16, 1811-1815. [DOI no: 10.1016/j.bmcl.2006.01.015]
• PubMed id: 16442285