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
Summary for 5VP0
Entry DOI | 10.2210/pdb5vp0/pdb |
Related | 5VP1 |
Descriptor | cGMP-dependent 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ... (5 entities in total) |
Functional Keywords | inhibitor, phosphodiesterase, brain-pentrating, cognitive disorders, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Isoform PDE2A3: Cell membrane ; Lipid-anchor . Isoform PDE2A2: Mitochondrion matrix . Isoform PDE2A1: Cytoplasm . Isoform 5: Mitochondrion : O00408 |
Total number of polymer chains | 3 |
Total formula weight | 122340.39 |
Authors | Hoffman, I.D. (deposition date: 2017-05-03, release date: 2017-08-23, Last modification date: 2024-03-13) |
Primary citation | 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 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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