9EP8

Crystal structure of ROCK2 in complex with a 8-(azaindolyl)-benzoazepinone inhibitor

This is a non-PDB format compatible entry.

Summary for 9EP8

• Entry DOI: 10.2210/pdb9ep8/pdb
• Descriptor: Rho-associated protein kinase 2, 8-(azaindolyl)-benzoazepinone, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: rock2, kinase inhibitor, 8-(azaindolyl)-benzoazepinone, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 185076.23

Authors

Pala, D.,Clark, D.,Pioselli, B.,Accetta, A.,Rancati, F. (deposition date: 2024-03-18, release date: 2024-09-25)

• Primary citation: Pala, D.,Clark, D.,Edwards, C.,Pasqua, E.,Tigli, L.,Pioselli, B.,Malysa, P.,Facchinetti, F.,Rancati, F.,Accetta, A.; Design and synthesis of novel 8-(azaindolyl)-benzoazepinones as potent and selective ROCK inhibitors; Rsc Med Chem, 2024; DOI: 10.1039/D4MD00313F

Experimental method

X-RAY DIFFRACTION (2.63 Å)