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TitleDiscovery of TAK-272: A Novel, Potent, and Orally Active Renin Inhibitor.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 7, Page 933-938, Year 2016
Publish dateJul 1, 2016 (structure data deposition date)
AuthorsImaeda, Y. / Tokuhara, H. / Fukase, Y. / Kanagawa, R. / Kajimoto, Y. / Kusumoto, K. / Kondo, M. / Snell, G. / Behnke, C.A. / Kuroita, T.
External linksAcs Med. Chem. Lett. / PubMed:27774132
MethodsX-ray diffraction
Resolution2.41 Å
Structure data

PDB-5kos:
Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-6VS:
2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE inhibitor / protein-inhibitor complex / HYDROLASE-HYDROLASE inhibitor complex

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