8XV3

Crystal structure of the catalytic domain of human PDE10A complexed with (2-((4-(5-(2-methylpyridin-4-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenoxy)methyl)quinolin-4-yl)(2,6-diazaspiro[3.3]heptan-2-yl)methanone

This is a non-PDB format compatible entry.

Summary for 8XV3

• Entry DOI: 10.2210/pdb8xv3/pdb
• Descriptor: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, 2,6-diazaspiro[3.3]heptan-2-yl-[2-[[4-[5-(2-methylpyridin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]methyl]quinolin-4-yl]methanone, ZINC ION, ... (5 entities in total)
• Functional Keywords: inhibitor, complex, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 75928.47

Authors

Zhang, F.C.,Huang, Y.Y.,Luo, H.B.,Guo, L. (deposition date: 2024-01-14, release date: 2025-01-15)

• Primary citation: Zhang, F.C.,Huang, Y.Y.,Luo, H.B.,Guo, L.; Structure-based design and optimization of 3-trifluoromethyl-substituted pyrazoles as selective phosphodiesterase 10A inhibitors with improved metabolic stability to attenuate isoprenaline-induced cardiac hypertrophy; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.3 Å)