4EXG
Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors
Summary for 4EXG
Entry DOI | 10.2210/pdb4exg/pdb |
Related | 4EWO |
Descriptor | Beta-secretase 1, 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 (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 | 43480.16 |
Authors | |
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 Cited by PubMed: 23010268DOI: 10.1016/j.bmcl.2012.08.097 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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