View source for 2g1r

[[Image:2g1r.gif|left|200px]]

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{{STRUCTURE_2g1r|  PDB=2g1r  |  SCENE=  }} 

'''Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring'''


==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 &lt; or = 3 demonstrated a dramatic reduction in CYP3A4 inhibitory activity.

==Disease==
Known disease associated with this structure: Renal tubular dysgenesis OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=179820 179820]], Hyperproreninemia OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=179820 179820]]

==About this Structure==
2G1R is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2G1R 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:[http://www.ncbi.nlm.nih.gov/pubmed/16480874 16480874]
[[Category: Homo sapiens]]
[[Category: Renin]]
[[Category: Single protein]]
[[Category: Holsworth, D D.]]
[[Category: Jalaiea, M.]]
[[Category: Mcconnella, P.]]
[[Category: Zhanga, E.]]
[[Category: Hydrolase]]
[[Category: Protein-ligand complex]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Jun  5 10:01:52 2008''