3OAG

Design and optimization of new piperidines as renin inhibitors

Summary for 3OAG

• Entry DOI: 10.2210/pdb3oag/pdb
• Related: 3O9L 3OAD 3OEC
• Descriptor: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide, ... (5 entities in total)
• Functional Keywords: hydrolase, protease, glycosilation, blood, hydrolase - hydrolase inhibitor complex, hydrolase / hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Secreted: P00797 P00797
• Total number of polymer chains: 4
• Total formula weight: 77069.55

Authors

Prade, L. (deposition date: 2010-08-05, release date: 2010-11-03, Last modification date: 2024-11-06)

Primary citation

Corminboeuf, O.,Bezencon, O.,Grisostomi, C.,Remen, L.,Richard-Bildstein, S.,Bur, D.,Prade, L.,Hess, P.,Strickner, P.,Fischli, W.,Steiner, B.,Treiber, A.
Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20:6286-6290, 2010

PubMed Abstract: The discovery of a new series of piperidine-based renin inhibitors is described herein. SAR optimization upon the P3 renin sub-pocket is described, leading to the discovery of 9 and 41, two bioavailable renin inhibitors orally active at low doses in a transgenic rat model of hypertension.

PubMed: 20843686
DOI: 10.1016/j.bmcl.2010.08.086

Experimental method

X-RAY DIFFRACTION (2.3 Å)