5VP0

Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders

5VP0 の概要

• エントリーDOI: 10.2210/pdb5vp0/pdb
• 関連するPDBエントリー: 5VP1
• 分子名称: cGMP-dependent 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: inhibitor, phosphodiesterase, brain-pentrating, cognitive disorders, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform PDE2A3: Cell membrane ; Lipid-anchor . Isoform PDE2A2: Mitochondrion matrix . Isoform PDE2A1: Cytoplasm . Isoform 5: Mitochondrion : O00408
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 122340.39

構造登録者

Hoffman, I.D. (登録日: 2017-05-03, 公開日: 2017-08-23, 最終更新日: 2024-03-13)

• 主引用文献: Mikami, S.,Nakamura, S.,Ashizawa, T.,Nomura, I.,Kawasaki, M.,Sasaki, S.,Oki, H.,Kokubo, H.,Hoffman, I.D.,Zou, H.,Uchiyama, N.,Nakashima, K.,Kamiguchi, N.,Imada, H.,Suzuki, N.,Iwashita, H.,Taniguchi, T.; Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders.; J. Med. Chem., 60:7677-7702, 2017; PubMed: 28796496; DOI: 10.1021/acs.jmedchem.7b00807

実験手法

X-RAY DIFFRACTION (2.2 Å)