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TitleRational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 15, Page 5912-5949, Year 2007
Publish dateAug 22, 2006 (structure data deposition date)
AuthorsPowell, N.A. / Ciske, F.L. / Cai, C. / Holsworth, D.D. / Mennen, K. / Van Huis, C.A. / Jalaie, M. / Day, J. / Mastronardi, M. / McConnell, P. ...Powell, N.A. / Ciske, F.L. / Cai, C. / Holsworth, D.D. / Mennen, K. / Van Huis, C.A. / Jalaie, M. / Day, J. / Mastronardi, M. / McConnell, P. / Mochalkin, I. / Zhang, E. / Ryan, M.J. / Bryant, J. / Collard, W. / Ferreira, S. / Gu, C. / Collins, R. / Edmunds, J.J.
External linksBioorg. Med. Chem. / PubMed:17574423
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-2i4q:
Human renin/PF02342674 complex
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-UA4:
(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / RENIN INHIBITOR / PROTEIN-LIGAND COMPLEX

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