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TitleNew pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 5164-5170, Year 2011
Publish dateMay 26, 2011 (structure data deposition date)
AuthorsMalamas, M.S. / Erdei, J. / Gunawan, I. / Barnes, K. / Hui, Y. / Johnson, M. / Robichaud, A. / Zhou, P. / Yan, Y. / Solvibile, W. ...Malamas, M.S. / Erdei, J. / Gunawan, I. / Barnes, K. / Hui, Y. / Johnson, M. / Robichaud, A. / Zhou, P. / Yan, Y. / Solvibile, W. / Turner, J. / Fan, K.Y. / Chopra, R. / Bard, J. / Pangalos, M.N.
External linksBioorg. Med. Chem. Lett. / PubMed:21835615
MethodsX-ray diffraction
Resolution2.162 - 2.2 Å
Structure data

PDB-3s7l:
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.162 Å

PDB-3s7m:
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-591:
(5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one

ChemComp-HOH:
WATER

ChemComp-532:
(5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Aspartyl protease / Disulfide bond / Protease / HYDROLASE-HYDROLASE INHIBITOR complex / Endoplasmic reticulum / Endosome / Glycoprotein / Golgi apparatus / Membrane / Transmembrane

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