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 | |
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 Cited by PubMed: 28796496DOI: 10.1021/acs.jmedchem.7b00807 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.2 Å) |
構造検証レポート
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