5KKT

ROCK 1 bound to azaindole thiazole piperazine inhibitor

Summary for 5KKT

• Entry DOI: 10.2210/pdb5kkt/pdb
• Related: 5KKS
• Descriptor: Rho-associated protein kinase 1, 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide (3 entities in total)
• Functional Keywords: kinase, inhibitor, phosphorylation, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 97005.81

Authors

Jacobs, M.D. (deposition date: 2016-06-22, release date: 2017-06-28, Last modification date: 2023-09-27)

• 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., 2018; DOI: 10.1016/j.bmcl.2018.06.040

Experimental method

X-RAY DIFFRACTION (2.8 Å)