4I0E
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Summary for 4I0E
Entry DOI | 10.2210/pdb4i0e/pdb |
Related | 4HZT 4I02 4I0C 4I0D 4I0F 4I0G 4I0Z 4I10 |
Descriptor | Beta-secretase 1, ZINC ION, 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, ... (4 entities in total) |
Functional Keywords | bace, aspartic protease, hydrolysis, 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 | 46149.18 |
Authors | Yao, N.,Brecht, E. (deposition date: 2012-11-16, release date: 2013-03-06, Last modification date: 2013-07-03) |
Primary citation | Xu, Y.Z.,Yuan, S.,Bowers, S.,Hom, R.K.,Chan, W.,Sham, H.L.,Zhu, Y.L.,Beroza, P.,Pan, H.,Brecht, E.,Yao, N.,Lougheed, J.,Yan, J.,Tam, D.,Ren, Z.,Ruslim, L.,Bova, M.P.,Artis, D.R. Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. Bioorg.Med.Chem.Lett., 23:3075-3080, 2013 Cited by PubMed: 23570791DOI: 10.1016/j.bmcl.2013.03.009 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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