4I0G
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Summary for 4I0G
Entry DOI | 10.2210/pdb4i0g/pdb |
Related | 4HZT 4I0D 4I0E 4I0F 4I10 4I12 4I1C 4I1Z |
Descriptor | Beta-secretase 1, ZINC ION, 3-(4-bromothiophen-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 | 46083.12 |
Authors | Yao, N.,Brecht, E. (deposition date: 2012-11-16, release date: 2013-03-06, Last modification date: 2013-04-24) |
Primary citation | Bowers, S.,Xu, Y.Z.,Yuan, S.,Probst, G.D.,Hom, R.K.,Chan, W.,Konradi, A.W.,Sham, H.L.,Zhu, Y.L.,Beroza, P.,Pan, H.,Brecht, E.,Yao, N.,Lougheed, J.,Tam, D.,Ren, Z.,Ruslim, L.,Bova, M.P.,Artis, D.R. Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23:2181-2186, 2013 Cited by PubMed: 23465612DOI: 10.1016/j.bmcl.2013.01.103 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.78 Å) |
Structure validation
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