3O9L

Design and optimisation of new piperidines as renin inhibitors

Summary for 3O9L

• Entry DOI: 10.2210/pdb3o9l/pdb
• Related: 3G6Z 3OAD 3OAG
• Descriptor: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}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: 76852.37

Authors

Corminboeuf, O.,Bezencon, O.,Grisostomi, C.,Remen, L.,Richard-Bildstein, S.,Bur, D.,Prade, L.,Hess, P.,Strickner, P.,Treiber, A. (deposition date: 2010-08-04, release date: 2011-03-02, Last modification date: 2024-10-09)

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 (2.4 Å)