4EWO

Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors

Summary for 4EWO

• Entry DOI: 10.2210/pdb4ewo/pdb
• Related: 4EXG
• Descriptor: Beta-secretase 1, 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 (3 entities in total)
• Functional Keywords: bace, beta-secretase, statine, inhibitor, aspartyl protease, glycoprotein, membrane, protease, transmembrane, zymogen, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 1
• Total formula weight: 43462.13

Authors

Borkakoti, N.,Lindberg, J.,Derbyshire, D. (deposition date: 2012-04-27, release date: 2012-10-31)

• Primary citation: 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.; Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.; Bioorg.Med.Chem.Lett., 22:6721-6727, 2012; PubMed: 23010268; DOI: 10.1016/j.bmcl.2012.08.097

Experimental method

X-RAY DIFFRACTION (1.8 Å)