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TitleDesign and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 6721-6727, Year 2012
Publish dateApr 27, 2012 (structure data deposition date)
AuthorsSund, C. / Belda, O. / Borkakoti, N. / Lindberg, J. / Derbyshire, D. / Vrang, L. / Hamelink, E. / Hgren, C. / Woestenenk, E. / Wikstrom, K. ...Sund, C. / Belda, O. / Borkakoti, N. / Lindberg, J. / Derbyshire, D. / Vrang, L. / Hamelink, E. / Hgren, C. / Woestenenk, E. / Wikstrom, K. / Eneroth, A. / Lindstrom, E. / Kalayanov, G.
External linksBioorg. Med. Chem. Lett. / PubMed:23010268
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-4ewo:
Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4exg:
Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-996:
N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide

ChemComp-HOH:
WATER

ChemComp-916:
N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / BACE / BETA-SECRETASE / STATINE / INHIBITOR / ASPARTYL PROTEASE / GLYCOPROTEIN / MEMBRANE / PROTEASE / TRANSMEMBRANE / ZYMOGEN / HYDROLASE-HYDROLASE INHIBITOR complex

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