3KM4

Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors

Summary for 3KM4

• Entry DOI: 10.2210/pdb3km4/pdb
• Related: 3D91 3GW5
• Descriptor: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, ... (5 entities in total)
• Functional Keywords: renin, aspartate protease, hypertension, renin expression, renin inhibitor, aspartyl protease, cleavage on pair of basic residues, disulfide bond, glycoprotein, hydrolase, protease, secreted, zymogen, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Secreted: P00797
• Total number of polymer chains: 2
• Total formula weight: 76609.34

Authors

Wu, Z.,McKeever, B.M. (deposition date: 2009-11-09, release date: 2010-01-12, Last modification date: 2023-09-06)

• Primary citation: Xu, Z.,Cacatian, S.,Yuan, J.,Simpson, R.D.,Jia, L.,Zhao, W.,Tice, C.M.,Flaherty, P.T.,Guo, J.,Ishchenko, A.,Singh, S.B.,Wu, Z.,McKeever, B.M.,Scott, B.B.,Bukhtiyarov, Y.,Berbaum, J.,Mason, J.,Panemangalore, R.,Cappiello, M.G.,Bentley, R.,Doe, C.P.,Harrison, R.K.,McGeehan, G.M.,Dillard, L.W.,Baldwin, J.J.,Claremon, D.A.; Optimization of orally bioavailable alkyl amine renin inhibitors.; Bioorg.Med.Chem.Lett., 20:694-699, 2010; PubMed: 19959358; DOI: 10.1016/j.bmcl.2009.11.066

Experimental method

X-RAY DIFFRACTION (1.9 Å)