3QBH
Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors
Summary for 3QBH
Entry DOI | 10.2210/pdb3qbh/pdb |
Related | 3PI5 |
Descriptor | Beta-secretase 1, (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one (3 entities in total) |
Functional Keywords | enzyme inhibitor complex, hydrolase, 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 | 3 |
Total formula weight | 135966.12 |
Authors | Rondeau, J.M. (deposition date: 2011-01-13, release date: 2011-03-23, Last modification date: 2017-10-11) |
Primary citation | Rueeger, H.,Rondeau, J.M.,McCarthy, C.,Mobitz, H.,Tintelnot-Blomley, M.,Neumann, U.,Desrayaud, S. Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21:1942-1947, 2011 Cited by PubMed: 21388807DOI: 10.1016/j.bmcl.2011.02.038 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.24 Å) |
Structure validation
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