4AEL

PDE10A in complex with the inhibitor AZ5

4AEL の概要

• エントリーDOI: 10.2210/pdb4ael/pdb
• 関連するPDBエントリー: 1LRB 2WEY 2Y0J 2Y5U 2Y5V 2Y5X
• 分子名称: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: hydrolase, hit-to-lead, enzyme inhibitor, naphtyridine
• 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: 79844.66

構造登録者

Bauer, U.,Giordanetto, F.,Bauer, M.,OMahony, G.,Johansson, K.E.,Knecht, W.,Hartleib-Geschwindner, J.,Toppner Carlsson, E.,Enroth, C.,Sjogren, T. (登録日: 2012-01-11, 公開日: 2012-01-25, 最終更新日: 2023-12-20)

主引用文献

Bauer, U.,Giordanetto, F.,Bauer, M.,O'Mahony, G.,Johansson, K.E.,Knecht, W.,Hartleib-Geschwindner, J.,Carlsson, E.T.,Enroth, C.
Discovery of 4-Hydroxy-1,6-Naphthyridine-3-Carbonitrile Derivatives as Novel Pde10A Inhibitors.
Bioorg.Med.Chem.Lett., 22:1944-, 2012

PubMed Abstract: A series of 1,6-naphthyridine-based compounds was synthesized as potent phosphodiesterase 10A (PDE10A) inhibitors. Structure-based chemical modifications of the discovered chemotype served to further improve potency and selectivity over DHODH, laying the foundation for future optimization efforts.

PubMed: 22321214
DOI: 10.1016/J.BMCL.2012.01.046

実験手法

X-RAY DIFFRACTION (2.2 Å)