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
Summary for 5VP1
Entry DOI | 10.2210/pdb5vp1/pdb |
Related | 5VP0 |
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 | 122457.95 |
Authors | Hoffman, I.D. (deposition date: 2017-05-03, release date: 2017-12-27, Last modification date: 2024-03-13) |
Primary citation | 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 Cited by PubMed: 29093293DOI: 10.1248/cpb.c17-00564 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.86 Å) |
Structure validation
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