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TitleROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 2622-2626, Year 2018
Publish dateFeb 26, 2017 (structure data deposition date)
AuthorsBandarage, U.K. / Cao, J. / Come, J.H. / Court, J.J. / Gao, H. / Jacobs, M.D. / Marhefka, C. / Nanthakumar, S. / Green, J.
External linksBioorg. Med. Chem. Lett. / PubMed:30082069
MethodsX-ray diffraction
Resolution2.3 - 3.3 Å
Structure data

PDB-5uzj:
Crystal Structure of ROCK1 bound to an aminopyridine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

PDB-5uzk:
Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-8UV:
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide

ChemComp-HOH:
WATER

ChemComp-504:
2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide

Source
  • homo sapiens (human)
  • oryctolagus cuniculus (rabbit)
KeywordsTransferase/Transferase Inhibitor / DIMERIZATION / DIMER / PHOSPHORYLATION / KINASE / Transferase-Transferase Inhibitor complex

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