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Structure paper

TitleDiscovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 3, Page 754-758, Year 2012
Publish dateJun 26, 2012 (structure data deposition date)
AuthorsNakamura, Y. / Fujimoto, T. / Ogawa, Y. / Sugita, C. / Miyazaki, S. / Tamaki, K. / Takahashi, M. / Matsui, Y. / Nagayama, T. / Manabe, K. ...Nakamura, Y. / Fujimoto, T. / Ogawa, Y. / Sugita, C. / Miyazaki, S. / Tamaki, K. / Takahashi, M. / Matsui, Y. / Nagayama, T. / Manabe, K. / Mizuno, M. / Masubuchi, N. / Chiba, K. / Nishi, T.
External linksAcs Med. Chem. Lett. / PubMed:24900544
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-3vuc:
Human renin in complex with compound 5
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

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

ChemComp-HHE:
(2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Aspartyl protease / RAS / hypertension / inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex

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