4YS7

Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A

Summary for 4YS7

• Entry DOI: 10.2210/pdb4ys7/pdb
• Related: 4YQH
• Descriptor: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: pde10a, inhibitor, co-crystal, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q9Y233
• Total number of polymer chains: 2
• Total formula weight: 75358.04

Authors

Burdi, D.F.,Herman, L.,Wang, T. (deposition date: 2015-03-16, release date: 2015-04-29, Last modification date: 2024-02-28)

• Primary citation: Burdi, D.F.,Campbell, J.E.,Wang, J.,Zhao, S.,Zhong, H.,Wei, J.,Campbell, U.,Shao, L.,Herman, L.,Koch, P.,Jones, P.G.,Hewitt, M.C.; Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.; Bioorg.Med.Chem.Lett., 25:1864-1868, 2015; PubMed: 25863433; DOI: 10.1016/j.bmcl.2015.03.050

Experimental method

X-RAY DIFFRACTION (2.502 Å)