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2qmg

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Revision as of 16:27, 20 March 2008

Image:2qmg.jpg


PDB ID 2qmg

Drag the structure with the mouse to rotate
, resolution 1.890Å
Sites: , , and
Ligands: and
Gene: BACE1, BACE (Homo sapiens)
Activity: Memapsin 2, with EC number 3.4.23.46
Coordinates: save as pdb, mmCIF, xml



Structure of BACE Bound to SCH745966


Overview

Based on a lead compound identified from the patent literature, we developed patentably novel BACE-1 inhibitors by introducing a cyclic amine scaffold as embodied by 1a and 1b. Extensive SAR studies assessed a variety of isophthalamide replacements including substituted pyrrolidinones and ultimately led to the identification of 11. Due to its favorable overall profile, 11 has been extensively profiled in various in vivo settings.

About this Structure

2QMG is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor., Iserloh U, Pan J, Stamford AW, Kennedy ME, Zhang Q, Zhang L, Parker EM, McHugh NA, Favreau L, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):418-22. Epub 2007 Oct 18. PMID:17980584

Page seeded by OCA on Thu Mar 20 18:27:21 2008

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