6ZTC

CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION.

Summary for 6ZTC

• Entry DOI: 10.2210/pdb6ztc/pdb
• Descriptor: Hematopoietic prostaglandin D synthase, GLUTATHIONE, MAGNESIUM ION, ... (6 entities in total)
• Functional Keywords: prostaglandin biosynthesis, fatty acid biosynthesis, prostaglandin d2 synthase, pgds, asthma, cytoplasm, isomerase, lipid synthesis
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 48317.61

Authors

Somers, D.O. (deposition date: 2020-07-17, release date: 2021-07-28, Last modification date: 2024-05-01)

Primary citation

Schulte, C.A.,Deaton, D.N.,Diaz, E.,Do, Y.,Gampe, R.T.,Guss, J.H.,Hancock, A.P.,Hobbs, H.,Hodgson, S.T.,Holt, J.,Jeune, M.R.,Kahler, K.M.,Kramer, H.F.,Le, J.,Mortenson, P.N.,Musetti, C.,Nolte, R.T.,Orband-Miller, L.A.,Peckham, G.E.,Petrov, K.G.,Pietrak, B.L.,Poole, C.,Price, D.J.,Saxty, G.,Shillings, A.,Smalley Jr., T.L.,Somers, D.O.,Stewart, E.L.,Stuart, J.D.,Thomson, S.A.
A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47:128113-128113, 2021

PubMed Abstract: Through an internal virtual screen at GlaxoSmithKline a distinct class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors were discovered. Careful evaluation of crystal structures and SAR led to a novel, potent, and orally active imidazopyridine inhibitor of H-PGDS, 20b. Herein, describes the identification of 2 classes of inhibitors, their syntheses, and their challenges.

PubMed: 33991628
DOI: 10.1016/j.bmcl.2021.128113

Experimental method

X-RAY DIFFRACTION (1.84 Å)