4I0D

Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors

4I0D の概要

• エントリーDOI: 10.2210/pdb4i0d/pdb
• 関連するPDBエントリー: 4HZT 4I0E 4I0F 4I0G 4I0Z 4I10 4I12 4I1C
• 分子名称: Beta-secretase 1, ZINC ION, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine, ... (4 entities in total)
• 機能のキーワード: bace, aspartic protease, hydrolysis, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: P56817
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 46046.30

構造登録者

Yao, N.,Brecht, E. (登録日: 2012-11-16, 公開日: 2013-10-09)

• 主引用文献: 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; PubMed: 23570791; DOI: 10.1016/j.bmcl.2013.03.009

実験手法

X-RAY DIFFRACTION (1.91 Å)