2fs4

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{{STRUCTURE_2fs4| PDB=2fs4 | SCENE= }}
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'''Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring'''
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===Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring===
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==Overview==
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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 &lt; or = 3 demonstrated a dramatic reduction in CYP3A4 inhibitory activity.
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{{ABSTRACT_PUBMED_16480874}}
==Disease==
==Disease==
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[[Category: Zhanga, E.]]
[[Category: Zhanga, E.]]
[[Category: Protein-ligand complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 04:14:49 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 05:54:08 2008''

Revision as of 02:54, 29 July 2008

Image:2fs4.png

Template:STRUCTURE 2fs4

Contents

Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring

Template:ABSTRACT PUBMED 16480874

Disease

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

About this Structure

2FS4 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

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