2g20

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[[Image:2g20.gif|left|200px]]
[[Image:2g20.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2g20 |SIZE=350|CAPTION= <scene name='initialview01'>2g20</scene>, resolution 2.40&Aring;
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The line below this paragraph, containing "STRUCTURE_2g20", creates the "Structure Box" on the page.
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|SITE=
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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=L1A:N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE'>L1A</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/Renin Renin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.15 3.4.23.15] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= REN ([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_2g20| PDB=2g20 | SCENE= }}
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|RELATEDENTRY=[[2g1n|2G1N]], [[2g1r|2G1R]], [[2g1o|2G1O]], [[2g1s|2G1S]], [[2g1y|2G1Y]], [[2g21|2G21]], [[2g22|2G22]], [[2g24|2G24]], [[2g26|2G26]], [[2g27|2G27]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2g20 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2g20 OCA], [http://www.ebi.ac.uk/pdbsum/2g20 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2g20 RCSB]</span>
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}}
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'''Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring'''
'''Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring'''
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[[Category: Mcconnella, P.]]
[[Category: Mcconnella, P.]]
[[Category: Zhanga, E.]]
[[Category: Zhanga, E.]]
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[[Category: protein-ligand complex]]
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[[Category: Protein-ligand complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 04:36:14 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:10:46 2008''
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Revision as of 01:36, 4 May 2008

Image:2g20.gif

Template:STRUCTURE 2g20

Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring


Contents

Overview

A systematic investigation of the S3 sub-pocket activity requirements was conducted. It was observed that linear and sterically small side chain substituents are preferred in the S3 sub-pocket for optimal renin inhibition. Polar groups in the S3-sub-pocket were not well tolerated and caused a reduction in renin inhibitory activity. Further, compounds with clog P's < or = 3 demonstrated a dramatic reduction in CYP3A4 inhibitory activity.

Disease

Known disease associated with this structure: Renal tubular dysgenesis OMIM:[179820], Hyperproreninemia OMIM:[179820]

About this Structure

2G20 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Ketopiperazine-based renin inhibitors: optimization of the "C" ring., Holsworth DD, Cai C, Cheng XM, Cody WL, Downing DM, Erasga N, Lee C, Powell NA, Edmunds JJ, Stier M, Jalaie M, Zhang E, McConnell P, Ryan MJ, Bryant J, Li T, Kasani A, Hall E, Subedi R, Rahim M, Maiti S, Bioorg Med Chem Lett. 2006 May 1;16(9):2500-4. Epub 2006 Feb 15. PMID:16480874 Page seeded by OCA on Sun May 4 04:36:14 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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