5G3M

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

Summary for 5G3M

• Entry DOI: 10.2210/pdb5g3m/pdb
• Related: 5G3N
• Descriptor: GROUP 10 SECRETORY PHOSPHOLIPASE A2, CALCIUM ION, DIMETHYL SULFOXIDE, ... (6 entities in total)
• Functional Keywords: hydrolase, spla2, cardiovascular disease, inhibitor, fragment
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Secreted : O15496
• Total number of polymer chains: 2
• Total formula weight: 29740.39

Authors

Sandmark, J.,Bodin, C.,Hallberg, K. (deposition date: 2016-04-29, release date: 2016-09-14, Last modification date: 2024-11-06)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.85 Å)