4B00

Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41)

4B00 の概要

• エントリーDOI: 10.2210/pdb4b00/pdb
• 関連するPDBエントリー: 1FKN 1M4H 1PY1 1SGZ 1TQF 1UJJ 1UJK 1W50 1W51 1XN2 1XN3 1XS7 1YM2 1YM4 2B8L 2B8V 2FDP 2VA5 2VA6 2VA7 2VIE 2VIJ 2VIY 2VIZ 2VJ6 2VJ7 2VJ9 2VKM 2VNM 2VNN 2WEZ 2WF0 2WF1 2WF2 2WF3 2WF4 2WJO 2XFI 2XFJ 2XFK 4ACU 4ACX 4AZY 4B05
• 分子名称: BETA-SECRETASE 1, ACETATE ION, 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ... (4 entities in total)
• 機能のキーワード: hydrolase, aminoisoindole, alzheimer's disease
• 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: 46535.17

構造登録者

Swahn, B.M.,Kolmodin, K.,Karlstrom, S.,von Berg, S.,Soderman, P.,Holenz, J.,Berg, S.,Lindstrom, J.,Sundstrom, M.,Turek, D.,Kihlstrom, J.,Slivo, C.,Andersson, L.,Pyring, D.,Ohberg, L.,Kers, A.,Bogar, K.,Bergh, M.,Olsson, L.L.,Janson, J.,Eketjall, S.,Georgievska, B.,Jeppsson, F.,Falting, J. (登録日: 2012-06-27, 公開日: 2012-10-17, 最終更新日: 2023-12-20)

• 主引用文献: Swahn, B.M.,Kolmodin, K.,Karlstrom, S.,von Berg, S.,Soderman, P.,Holenz, J.,Berg, S.,Lindstrom, J.,Sundstrom, M.,Turek, D.,Kihlstrom, J.,Slivo, C.,Andersson, L.,Pyring, D.,Rotticci, D.,Ohberg, L.,Kers, A.,Bogar, K.,von Kieseritzky, F.,Bergh, M.,Olsson, L.L.,Janson, J.,Eketjall, S.,Georgievska, B.,Jeppsson, F.,Falting, J.; Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.; J. Med. Chem., 55:9346-9361, 2012; PubMed: 22924815; DOI: 10.1021/jm3009025

実験手法

X-RAY DIFFRACTION (1.83 Å)