3UI7

Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia

Summary for 3UI7

• Entry DOI: 10.2210/pdb3ui7/pdb
• Descriptor: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, ... (5 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: 78021.10

Authors

Yang, S.,Smotryski, J.,Mcelroy, W.,Ho, G.,Tulshian, D.,Greenlee, W.J.,Hodgson, R.,Xiao, L.,Hruza, A. (deposition date: 2011-11-04, release date: 2011-12-21, Last modification date: 2024-02-28)

• Primary citation: Yang, S.W.,Smotryski, J.,McElroy, W.T.,Tan, Z.,Ho, G.,Tulshian, D.,Greenlee, W.J.,Guzzi, M.,Zhang, X.,Mullins, D.,Xiao, L.,Hruza, A.,Chan, T.M.,Rindgen, D.,Bleickardt, C.,Hodgson, R.; Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia.; Bioorg.Med.Chem.Lett., 22:235-239, 2012; PubMed: 22142545; DOI: 10.1016/j.bmcl.2011.11.023

Experimental method

X-RAY DIFFRACTION (2.28 Å)