5VP1

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

5VP1 の概要

• エントリーDOI: 10.2210/pdb5vp1/pdb
• 関連するPDBエントリー: 5VP0
• 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: 122457.95

構造登録者

Hoffman, I.D. (登録日: 2017-05-03, 公開日: 2017-12-27, 最終更新日: 2024-03-13)

• 主引用文献: Mikami, S.,Kawasaki, M.,Ikeda, S.,Negoro, N.,Nakamura, S.,Nomura, I.,Ashizawa, T.,Kokubo, H.,Hoffman, I.D.,Zou, H.,Oki, H.,Uchiyama, N.,Hiura, Y.,Miyamoto, M.,Itou, Y.,Nakashima, M.,Iwashita, H.,Taniguchi, T.; Discovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from 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), for the Treatment of Cognitive Disorders.; Chem. Pharm. Bull., 65:1058-1077, 2017; PubMed: 29093293; DOI: 10.1248/cpb.c17-00564

実験手法

X-RAY DIFFRACTION (1.86 Å)