3QI1

Design and synthesis of hydroxyethylamine (hea) BACE-1 inhibitors: prime side chromane-containing inhibitors

3QI1 の概要

• エントリーDOI: 10.2210/pdb3qi1/pdb
• 分子名称: Beta-secretase 1, N-[(2S,3R)-4-{[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide (3 entities in total)
• 機能のキーワード: aspartate protease, 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: 45895.49

構造登録者

Yao, N. (登録日: 2011-01-26, 公開日: 2012-03-28, 最終更新日: 2013-12-18)

• 主引用文献: Ng, R.A.,Sun, M.,Bowers, S.,Hom, R.K.,Probst, G.D.,John, V.,Fang, L.Y.,Maillard, M.,Gailunas, A.,Brogley, L.,Neitz, R.J.,Tung, J.S.,Pleiss, M.A.,Konradi, A.W.,Sham, H.L.,Dappen, M.S.,Adler, M.,Yao, N.,Zmolek, W.,Nakamura, D.,Quinn, K.P.,Sauer, J.M.,Bova, M.P.,Ruslim, L.,Artis, D.R.,Yednock, T.A.; Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: prime side chromane-containing inhibitors.; Bioorg.Med.Chem.Lett., 23:4674-4679, 2013; PubMed: 23856050; DOI: 10.1016/j.bmcl.2013.06.006

実験手法

X-RAY DIFFRACTION (2.3 Å)