2fs4

File:2fs4.gif

spinqualitylabelsall models PDB ID 2fs4 Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image
, resolution 2.2Å
Ligands:
Gene:	REN (Homo sapiens)
Activity:	Renin, with EC number 3.4.23.15
Resources:	FirstGlance, OCA, PDBsum, RCSB
Coordinates:	save as pdb, mmCIF, xml

Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring

OverviewOverview

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.

DiseaseDisease

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

About this StructureAbout this Structure

2FS4 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

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 Mon Mar 31 03:06:55 2008