4PHW

Crystal Structure of PDE10A with 1H-benzimidazol-2-yl(4-((3-(tetrahydro-2H-pyran-4-yl)-2-pyridinyl)oxy)phenyl)methanone

Summary for 4PHW

• Entry DOI: 10.2210/pdb4phw/pdb
• Descriptor: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, SULFATE ION, ... (5 entities in total)
• Functional Keywords: inhibitor, phosphodiesterase, keto-benzimidazole, 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: 82787.69

Authors

Chmait, S. (deposition date: 2014-05-07, release date: 2014-08-06, Last modification date: 2023-12-27)

• Primary citation: Hu, E.,Chen, N.,Bourbeau, M.P.,Harrington, P.E.,Biswas, K.,Kunz, R.K.,Andrews, K.L.,Chmait, S.,Zhao, X.,Davis, C.,Ma, J.,Shi, J.,Lester-Zeiner, D.,Danao, J.,Able, J.,Cueva, M.,Talreja, S.,Kornecook, T.,Chen, H.,Porter, A.,Hungate, R.,Treanor, J.,Allen, J.R.; Discovery of Clinical Candidate 1-(4-(3-(4-(1H-Benzo[d]imidazole-2-carbonyl)phenoxy)pyrazin-2-yl)piperidin-1-yl)ethanone (AMG 579), A Potent, Selective, and Efficacious Inhibitor of Phosphodiesterase 10A (PDE10A).; J.Med.Chem., 57:6632-6641, 2014; PubMed: 25062128; DOI: 10.1021/jm500713j

Experimental method

X-RAY DIFFRACTION (2.5 Å)