5G3N

Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor.

5G3N の概要

• エントリーDOI: 10.2210/pdb5g3n/pdb
• 関連するPDBエントリー: 5G3M
• 分子名称: PHOSPHOLIPASE A2, MEMBRANE ASSOCIATED, CALCIUM ION, FORMIC ACID, ... (5 entities in total)
• 機能のキーワード: hydrolase, spla2, secreted phospholipase a2, cardiovascular disease, inhibitor, fragment
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Cell membrane ; Peripheral membrane protein : P14555
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 29413.81

構造登録者

Sandmark, J.,Bodin, C.,Hallberg, K. (登録日: 2016-04-29, 公開日: 2016-09-14, 最終更新日: 2024-11-06)

主引用文献

Giordanetto, F.,Pettersen, D.,Starke, I.,Nordberg, P.,Dahlstrom, M.,Knerr, L.,Selmi, N.,Rosengren, B.,Larsson, L.O.,Sandmark, J.,Castaldo, M.,Dekker, N.,Karlsson, U.,Hurt-Camejo, E.
Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease
Acs Med.Chem.Lett., 7:884-, 2016

PubMed Abstract: Expedited structure-based optimization of the initial fragment hit led to the design of ()- (AZD2716) a novel, potent secreted phospholipase A (sPLA) inhibitor with excellent preclinical pharmacokinetic properties across species, clear efficacy, and minimized safety risk. Based on accumulated profiling data, ()- was selected as a clinical candidate for the treatment of coronary artery disease.

PubMed: 27774123
DOI: 10.1021/ACSMEDCHEMLETT.6B00188

実験手法

X-RAY DIFFRACTION (1.8 Å)