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Structure paper

TitleROCK inhibitors 2. Improving potency, selectivity and solubility through the application of rationally designed solubilizing groups.
Journal, issue, pagesBioorg. Med. Chem. Lett., Year 2018
Publish dateJan 28, 2016 (structure data deposition date)
AuthorsGao, H. / Marhefka, C. / Jacobs, M.D. / Cao, J. / Bandarage, U.K. / Green, J.
External linksBioorg. Med. Chem. Lett. / PubMed:29945794
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-5hvu:
Rho-associated protein kinase 1 (ROCK 1) in complex with a pyridine thiazole piperidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-65R:
2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/transferase inhibitor / kinase / inhibitor / complex / solubilizing group / Transferase-transferase inhibitor complex

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