2qmd: Difference between revisions

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[[Image:2qmd.jpg|left|200px]]
[[Image:2qmd.jpg|left|200px]]


{{Structure
<!--
|PDB= 2qmd |SIZE=350|CAPTION= <scene name='initialview01'>2qmd</scene>, resolution 1.650&Aring;
The line below this paragraph, containing "STRUCTURE_2qmd", creates the "Structure Box" on the page.
|SITE= <scene name='pdbsite=AC1:Cs7+Binding+Site+For+Residue+A+1'>AC1</scene>, <scene name='pdbsite=AC2:Cs7+Binding+Site+For+Residue+B+1'>AC2</scene>, <scene name='pdbsite=AC3:Tar+Binding+Site+For+Residue+A+448'>AC3</scene>, <scene name='pdbsite=AC4:Tar+Binding+Site+For+Residue+A+2'>AC4</scene> and <scene name='pdbsite=AC5:Tar+Binding+Site+For+Residue+B+3'>AC5</scene>
You may change the PDB parameter (which sets the PDB file loaded into the applet)  
|LIGAND= <scene name='pdbligand=CS7:N&#39;-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE'>CS7</scene>, <scene name='pdbligand=TAR:D(-)-TARTARIC+ACID'>TAR</scene>
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
|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>
or leave the SCENE parameter empty for the default display.
|GENE= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
-->
|DOMAIN=
{{STRUCTURE_2qmd| PDB=2qmd  | SCENE= }}  
|RELATEDENTRY=[[2qk5|2qk5]], [[2qkj|2qkj]], [[2qmf|2qmf]], [[2qmg|2qmg]], [[2qp8|2qp8]]
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qmd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qmd OCA], [http://www.ebi.ac.uk/pdbsum/2qmd PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qmd RCSB]</span>
}}


'''Structure of BACE Bound to SCH722924'''
'''Structure of BACE Bound to SCH722924'''
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[[Category: Iserloh, U.]]
[[Category: Iserloh, U.]]
[[Category: Strickland, C O.]]
[[Category: Strickland, C O.]]
[[Category: alternative splicing]]
[[Category: Alternative splicing]]
[[Category: aspartyl protease]]
[[Category: Aspartyl protease]]
[[Category: bace1]]
[[Category: Bace1]]
[[Category: glycoprotein]]
[[Category: Glycoprotein]]
[[Category: hydrolase]]
[[Category: Hydrolase]]
[[Category: membrane]]
[[Category: Membrane]]
[[Category: protease]]
[[Category: Protease]]
[[Category: transmembrane]]
[[Category: Transmembrane]]
[[Category: zymogen]]
[[Category: Zymogen]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 15:12:05 2008''
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:50:55 2008''

Revision as of 12:12, 4 May 2008

File:2qmd.jpg

Template:STRUCTURE 2qmd

Structure of BACE Bound to SCH722924


Overview

Based on lead compound 1 identified from the patent literature, we developed novel patentable BACE-1 inhibitors by introducing a cyclic amine scaffold. Extensive SAR studies on both pyrrolidines and piperidines ultimately led to inhibitor 2f, one of the most potent inhibitors synthesized to date.

About this Structure

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

Reference

Potent pyrrolidine- and piperidine-based BACE-1 inhibitors., Iserloh U, Wu Y, Cumming JN, Pan J, Wang LY, Stamford AW, Kennedy ME, Kuvelkar R, Chen X, Parker EM, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):414-7. Epub 2007 Nov 6. PMID:18023580 Page seeded by OCA on Sun May 4 15:12:05 2008

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OCA

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