2qmd: Difference between revisions

Revision as of 15:12, 4 May 2008

Structure of BACE Bound to SCH722924

OverviewOverview

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 StructureAbout this Structure

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

ReferenceReference

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

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[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'''
@@ Line 28: / Line 25: @@
 [[Category: Iserloh, U.]]
 [[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''