2OVY

Crystal structure of the catalytic domain of rat phosphodiesterase 10A

2OVY の概要

• エントリーDOI: 10.2210/pdb2ovy/pdb
• 関連するPDBエントリー: 2O8H 2OVV
• 分子名称: Phosphodiesterase-10A, SULFATE ION, ZINC ION, ... (6 entities in total)
• 機能のキーワード: phosphodiesterase 10a; zn-binding site, hydrolase
• 由来する生物種: Rattus norvegicus (Norway rat)
• 細胞内の位置: Cytoplasm : Q9QYJ6
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 42250.93

構造登録者

Pandit, J.,Marr, E.S. (登録日: 2007-02-15, 公開日: 2007-03-06, 最終更新日: 2024-02-21)

主引用文献

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

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

実験手法

X-RAY DIFFRACTION (1.8 Å)