3WYL

Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one

Summary for 3WYL

Entry DOI	10.2210/pdb3wyl/pdb
Related	3WYK 3WYM
Descriptor	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM 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	78783.33
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: 25384088 DOI: 10.1021/jm5013648 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.68 Å)

Structure validation