3K1W

New Classes of Potent and Bioavailable Human Renin Inhibitors

Summary for 3K1W

Entry DOI	10.2210/pdb3k1w/pdb
Descriptor	Renin, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, FORMIC ACID, ... (7 entities in total)
Functional Keywords	renin, protease, alternative splicing, aspartyl protease, cleavage on pair of basic residues, disease mutation, disulfide bond, glycoprotein, hydrolase, membrane, polymorphism, secreted, zymogen
Biological source	Homo sapiens (human)
Cellular location	Secreted: P00797
Total number of polymer chains	2
Total formula weight	76576.11
Authors	Prade, L. (deposition date: 2009-09-29, release date: 2010-03-02, Last modification date: 2024-11-20)
Primary citation	Remen, L.,Bezencon, O.,Richard-Bildstein, S.,Bur, D.,Prade, L.,Corminboeuf, O.,Boss, C.,Grisostomi, C.,Sifferlen, T.,Strickner, P.,Hess, P.,Delahaye, S.,Treiber, A.,Weller, T.,Binkert, C.,Steiner, B.,Fischli, W. New classes of potent and bioavailable human renin inhibitors Bioorg.Med.Chem.Lett., 19:6762-6765, 2009 Cited by PubMed Abstract: New classes of de novo designed renin inhibitors are reported. Some of these compounds display excellent in vitro and in vivo activities toward human renin in a TGR model. The synthesis of these new types of mono- and bicyclic scaffolds are reported, and properties of selected compounds discussed. PubMed: 19853442 DOI: 10.1016/j.bmcl.2009.09.104 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation