4L7G

Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1)

4L7G の概要

• エントリーDOI: 10.2210/pdb4l7g/pdb
• 関連するPDBエントリー: 4L7H 4L7J 4LC7
• 分子名称: Beta-secretase 1, (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, DIMETHYL SULFOXIDE, ... (4 entities in total)
• 機能のキーワード: aspartic 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: 45977.66

構造登録者

Huestis, M.P.,Liu, W.,Volgraf, M.,Purkey, H.,Wang, W.,Yu, C.,Wu, P.,Smith, D.,Vigers, G.,Dutcher, D.,Geck Do, M.K.,Hunt, K.W.,Siu, M. (登録日: 2013-06-13, 公開日: 2013-09-18, 最終更新日: 2023-09-20)

• 主引用文献: Huestis, M.P.,Liu, W.,Volgraf, M.,Purkey, H.,Yu, C.,Wang, W.,Smith, D.,Vigers, G.,Dutcher, D.,Hunt, K.W.,Siu, M.; Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1); Tetrahedron Lett., 2013; DOI: 10.1016/j.tetlet.2013.07.136

実験手法

X-RAY DIFFRACTION (1.38 Å)