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Structure paper

TitleMolecular Shape and Medicinal Chemistry: A Perspective.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 3862-, Year 2010
Publish dateMay 28, 2009 (structure data deposition date)
AuthorsNicholls, A. / Mcgaughey, G.B. / Sheridan, R.P. / Good, A.C. / Warren, G. / Mathieu, M. / Muchmore, S.W. / Brown, S.P. / Grant, J.A. / Haigh, J.A. ...Nicholls, A. / Mcgaughey, G.B. / Sheridan, R.P. / Good, A.C. / Warren, G. / Mathieu, M. / Muchmore, S.W. / Brown, S.P. / Grant, J.A. / Haigh, J.A. / Nevins, N. / Jain, A.N. / Kelley, B.
External linksJ. Med. Chem. / PubMed:20158188
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-2wjo:
human Bace (beta secretase) in complex with Cyclohexanecarboxylic acid (2-(2-am ino-6-phenoxy-4H-quinazolin-3-yl)-2 -cyclohexyl-ethyl)- amide
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-QUD:
2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYCLOHEXYLCARBONYL)AMINO]ETHYL}-6-PHENOXYQUINAZOLIN-3-IUM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / ZYMOGEN / MEMBRANE / GLYCOPROTEIN / TRANSMEMBRANE

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