4BBX

Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia

4BBX の概要

• エントリーDOI: 10.2210/pdb4bbx/pdb
• 関連するPDBエントリー: 1LRB 2WEY 2Y0J 4AEL 4AJD 4AJF 4AJG 4AJM
• 分子名称: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, ZINC ION, ... (5 entities in total)
• 機能のキーワード: phosphodiesterase inhibitor, inhibitor complex, hydrolase, zinc binding, magnesium binding
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Cytoplasm: Q9Y233
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 78873.80

構造登録者

Bartolome-Nebreda, J.M.,Conde-Ceide, S.,Delgado, F.,Martin, M.L.,Martinez-Viturro, C.M.,Pastor, J.,Tong, H.M.,Iturrino, L.,Macdonald, G.J.,Sanderson, W.,Megens, A.,Langlois, X.,Somers, M.,Vanhoof, G. (登録日: 2012-09-28, 公開日: 2013-10-16, 最終更新日: 2024-05-08)

• 主引用文献: Bartolome-Nebreda, J.M.,Delgado, F.,Martin, M.L.,Martinez-Viturro, C.M.,Pastor, J.,Tong, H.M.,Iturrino, L.,Macdonald, G.J.,Sanderson, W.E.,Megens, A.,Langlois, X.,Somers, M.,Vanhoof, G.,Conde Ceide, S.; Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia.; J.Med.Chem., 57:4196-, 2014; PubMed: 24758746; DOI: 10.1021/JM500073H

実験手法

X-RAY DIFFRACTION (2.5 Å)