5UZK

Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor

Summary for 5UZK

• Entry DOI: 10.2210/pdb5uzk/pdb
• Related: 5UZJ
• Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, ... (4 entities in total)
• Functional Keywords: phosphorylation, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 43257.35

Authors

Jacobs, M.D.,Brown, K. (deposition date: 2017-02-26, release date: 2018-03-07, Last modification date: 2024-11-20)

Primary citation

Bandarage, U.K.,Cao, J.,Come, J.H.,Court, J.J.,Gao, H.,Jacobs, M.D.,Marhefka, C.,Nanthakumar, S.,Green, J.
ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28:2622-2626, 2018

PubMed Abstract: Rho kinase (ROCK) inhibitors are potential therapeutic agents for the treatment of a variety of disorders including hypertension, glaucoma and erectile dysfunction. Here we disclose a series of potent and selective ROCK inhibitors based on a substituted 7-azaindole scaffold. Substitution of the 3-position of 7-azaindole led to compounds such as 37, which possess excellent ROCK inhibitory potency and high selectivity against the closely related kinase PKA.

PubMed: 30082069
DOI: 10.1016/j.bmcl.2018.06.040

Experimental method

X-RAY DIFFRACTION (2.3 Å)