2O8H

Crystal structure of the catalytic domain of rat phosphodiesterase 10A

Summary for 2O8H

Entry DOI	10.2210/pdb2o8h/pdb
Descriptor	Phosphodiesterase-10A, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
Functional Keywords	phosphodiesterase 10a; zn-binding site, hydrolase
Biological source	Rattus norvegicus (Norway rat)
Cellular location	Cytoplasm : Q9QYJ6
Total number of polymer chains	1
Total formula weight	42235.01
Authors	Pandit, J.,Marr, E.S. (deposition date: 2006-12-12, release date: 2007-01-09, Last modification date: 2024-04-03)
Primary citation	Chappie, T.A.,Humphrey, J.M.,Allen, M.P.,Estep, K.G.,Fox, C.B.,Lebel, L.A.,Liras, S.,Marr, E.S.,Menniti, F.S.,Pandit, J.,Schmidt, C.J.,Tu, M.,Williams, R.D.,Yang, F.V. Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors J.Med.Chem., 50:182-185, 2007 Cited by PubMed Abstract: A papaverine based pharmacophore model for PDE10A inhibition was generated via SBDD and used to design a library of 4-amino-6,7-dimethoxyquinazolines. From this library emerged an aryl ether pyrrolidyl 6,7-dimethoxyquinazoline series that became the focal point for additional modeling, X-ray, and synthetic efforts toward increasing PDE10A inhibitory potency and selectivity versus PDE3A/B. These efforts culminated in the discovery of 29, a potent and selective brain penetrable inhibitor of PDE10A. PubMed: 17228859 DOI: 10.1021/jm060653b PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation