3VYD

Human renin in complex with inhibitor 6

Summary for 3VYD

• Entry DOI: 10.2210/pdb3vyd/pdb
• Related: 3VYE 3VYF
• Descriptor: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, (3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide, ... (4 entities in total)
• Functional Keywords: aspartyl protease, ras, hypertension, inhibitor, 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: 75874.49

Authors

Takahashi, M.,Hanzawa, H. (deposition date: 2012-09-24, release date: 2012-12-19, Last modification date: 2024-10-30)

Primary citation

Mori, Y.,Ogawa, Y.,Mochizuki, A.,Nakamura, Y.,Sugita, C.,Miyazaki, S.,Tamaki, K.,Matsui, Y.,Takahashi, M.,Nagayama, T.,Nagai, Y.,Inoue, S.,Nishi, T.
Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22:7677-7682, 2012

PubMed Abstract: Utilizing X-ray crystal structure analysis, (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides were designed and identified as renin inhibitors. The most potent compound 15 demonstrated favorable pharmacokinetic and pharmacodynamic profiles in rat.

PubMed: 23122821
DOI: 10.1016/j.bmcl.2012.09.103

Experimental method

X-RAY DIFFRACTION (2.81 Å)