3WYK
Crystal structure of the catalytic domain of PDE10A complexed with 3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one
Summary for 3WYK
Entry DOI | 10.2210/pdb3wyk/pdb |
Related | 3wyl 3wym |
Descriptor | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, MAGNESIUM ION, ZINC ION, ... (5 entities in total) |
Functional Keywords | hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 78723.28 |
Authors | Oki, H.,Hayano, Y. (deposition date: 2014-09-01, release date: 2014-11-19, Last modification date: 2024-03-20) |
Primary citation | Kunitomo, J.,Yoshikawa, M.,Fushimi, M.,Kawada, A.,Quinn, J.F.,Oki, H.,Kokubo, H.,Kondo, M.,Nakashima, K.,Kamiguchi, N.,Suzuki, K.,Kimura, H.,Taniguchi, T. Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor. J.Med.Chem., 57:9627-9643, 2014 Cited by PubMed: 25384088DOI: 10.1021/jm5013648 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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