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TitleDesign and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: prime side chromane-containing inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 4674-4679, Year 2013
Publish dateJan 26, 2011 (structure data deposition date)
AuthorsNg, R.A. / Sun, M. / Bowers, S. / Hom, R.K. / Probst, G.D. / John, V. / Fang, L.Y. / Maillard, M. / Gailunas, A. / Brogley, L. ...Ng, R.A. / Sun, M. / Bowers, S. / Hom, R.K. / Probst, G.D. / John, V. / Fang, L.Y. / Maillard, M. / Gailunas, A. / Brogley, L. / Neitz, R.J. / Tung, J.S. / Pleiss, M.A. / Konradi, A.W. / Sham, H.L. / Dappen, M.S. / Adler, M. / Yao, N. / Zmolek, W. / Nakamura, D. / Quinn, K.P. / Sauer, J.M. / Bova, M.P. / Ruslim, L. / Artis, D.R. / Yednock, T.A.
External linksBioorg. Med. Chem. Lett. / PubMed:23856050
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-3qi1:
Design and synthesis of hydroxyethylamine (hea) BACE-1 inhibitors: prime side chromane-containing inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-C6A:
N-[(2S,3R)-4-{[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Aspartate Protease / HYDROLASE-HYDROLASE INHIBITOR complex

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