5OWC

Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors

5OWC の概要

• エントリーDOI: 10.2210/pdb5owc/pdb
• 関連するPDBエントリー: 5OW8
• 分子名称: Group 10 secretory phospholipase A2, CALCIUM ION, 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid, ... (6 entities in total)
• 機能のキーワード: inhibitor, secreted, phospholipase, lipid binding protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 28872.96

構造登録者

Sandmark, J.S.,Roth, R.G.,Knerr, L.,Bodin, C.,Pettersen, D. (登録日: 2017-08-31, 公開日: 2018-08-01, 最終更新日: 2024-11-20)

主引用文献

Knerr, L.,Giordanetto, F.,Nordberg, P.,Pettersen, D.,Selmi, N.,Beisel, H.G.,de la Motte, H.,Olsson, T.,Perkins, T.D.J.,Herslof, M.,Mansson, A.,Dahlstrom, M.,Starke, I.,Broddefalk, J.,Saarinen, G.,Klingegard, F.,Hurt-Camejo, E.,Rosengren, B.,Brengdahl, J.,Jansen, F.,Rohman, M.,Sandmark, J.,Hallberg, K.,Akerud, T.,Roth, R.G.,Ahlqvist, M.
Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9:594-599, 2018

PubMed Abstract: In order to assess the potential of sPLA-X as a therapeutic target for atherosclerosis, novel sPLA inhibitors with improved type X selectivity are required. To achieve the objective of identifying such compounds, we embarked on a lead generation effort that resulted in the identification of a novel series of indole-2-carboxamides as selective sPLA2-X inhibitors with excellent potential for further optimization.

PubMed: 30034585
DOI: 10.1021/acsmedchemlett.7b00505

実験手法

X-RAY DIFFRACTION (1.75 Å)