3UUO

The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia

Summary for 3UUO

• Entry DOI: 10.2210/pdb3uuo/pdb
• Descriptor: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, ... (6 entities in total)
• Functional Keywords: inhibitor complex, hydrolase, zn binding, mg binding, 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: 79007.96

Authors

Ho, G.D.,Yang, S.,Smotryski, J.,Bercovici, A.,Nechuta, T.,Smith, E.M.,McElroy, W.,Tan, Z.,Tulshian, D.,Mckittrick, B.,Greenlee, W.J.,Hruza, A.,Xiao, L.,Rindgen, D.,Guzzi, M.,Zhang, X.,Bleickardt, C.,Mullins, D.,Hodgson, R. (deposition date: 2011-11-28, release date: 2012-01-25, Last modification date: 2024-02-28)

• Primary citation: Ho, G.D.,Yang, S.W.,Smotryski, J.,Bercovici, A.,Nechuta, T.,Smith, E.M.,McElroy, W.,Tan, Z.,Tulshian, D.,McKittrick, B.,Greenlee, W.J.,Hruza, A.,Xiao, L.,Rindgen, D.,Mullins, D.,Guzzi, M.,Zhang, X.,Bleickardt, C.,Hodgson, R.; The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.; Bioorg.Med.Chem.Lett., 22:1019-1022, 2012; PubMed: 22222034; DOI: 10.1016/j.bmcl.2011.11.127

Experimental method

X-RAY DIFFRACTION (2.11 Å)