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2qmg

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[[Image:2qmg.jpg|left|200px]]
[[Image:2qmg.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2qmg |SIZE=350|CAPTION= <scene name='initialview01'>2qmg</scene>, resolution 1.890&Aring;
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The line below this paragraph, containing "STRUCTURE_2qmg", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Sc6+Binding+Site+For+Residue+A+1'>AC1</scene>, <scene name='pdbsite=AC2:Sc6+Binding+Site+For+Residue+B+1'>AC2</scene>, <scene name='pdbsite=AC3:Tar+Binding+Site+For+Residue+A+2'>AC3</scene> and <scene name='pdbsite=AC4:Tar+Binding+Site+For+Residue+B+3'>AC4</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=SC6:N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE'>SC6</scene>, <scene name='pdbligand=TAR:D(-)-TARTARIC+ACID'>TAR</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2qmg| PDB=2qmg | SCENE= }}
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|RELATEDENTRY=[[2qk5|2qk5]], [[2qkj|2qkj]], [[2qmd|2qmd]], [[2qmf|2qmf]], [[2qp8|2qp8]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qmg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qmg OCA], [http://www.ebi.ac.uk/pdbsum/2qmg PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qmg RCSB]</span>
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}}
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'''Structure of BACE Bound to SCH745966'''
'''Structure of BACE Bound to SCH745966'''
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[[Category: Iserloh, U.]]
[[Category: Iserloh, U.]]
[[Category: Strickland, C O.]]
[[Category: Strickland, C O.]]
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[[Category: alternative splicing]]
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[[Category: Alternative splicing]]
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[[Category: aspartyl protease]]
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[[Category: Aspartyl protease]]
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[[Category: bace1]]
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[[Category: Bace1]]
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[[Category: glycoprotein]]
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[[Category: Glycoprotein]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: membrane]]
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[[Category: Membrane]]
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[[Category: protease]]
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[[Category: Protease]]
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[[Category: transmembrane]]
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[[Category: Transmembrane]]
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[[Category: zymogen]]
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[[Category: Zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 15:12:12 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:50:54 2008''
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Revision as of 12:12, 4 May 2008

Image:2qmg.jpg

Template:STRUCTURE 2qmg

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 Sun May 4 15:12:12 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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