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Structure paper

TitleThiophene substituted acylguanidines as BACE1 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 5353-5356, Year 2007
Publish dateAug 3, 2007 (structure data deposition date)
AuthorsFobare, W.F. / Solvibile, W.R. / Robichaud, A.J. / Malamas, M.S. / Manas, E. / Turner, J. / Hu, Y. / Wagner, E. / Chopra, R. / Cowling, R. ...Fobare, W.F. / Solvibile, W.R. / Robichaud, A.J. / Malamas, M.S. / Manas, E. / Turner, J. / Hu, Y. / Wagner, E. / Chopra, R. / Cowling, R. / Jin, G. / Bard, J.
External linksBioorg. Med. Chem. Lett. / PubMed:17761418
MethodsX-ray diffraction
Resolution2 - 2.6 Å
Structure data

PDB-2qu2:
BACE1 with Compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2qu3:
BACE1 with Compound 2
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-251:
N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide

ChemComp-HOH:
WATER

ChemComp-462:
N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Bace1 / inhibitor / acylguanidine / Alternative splicing / Aspartyl protease / Glycoprotein / Membrane / Protease / Transmembrane / Zymogen

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