6W58

hPGDS complexed with an aza-quinoline

Summary for 6W58

• Entry DOI: 10.2210/pdb6w58/pdb
• Descriptor: Hematopoietic prostaglandin D synthase, GLUTATHIONE, 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide, ... (4 entities in total)
• Functional Keywords: glutathione s-transferase, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 47785.93

Authors

Elkins, P.A.,Ward, P. (deposition date: 2020-03-12, release date: 2020-11-04, Last modification date: 2024-04-03)

• Primary citation: Cadilla, R.,Deaton, D.N.,Do, Y.,Elkins, P.A.,Ennulat, D.,Guss, J.H.,Holt, J.,Jeune, M.R.,King, A.G.,Klapwijk, J.C.,Kramer, H.F.,Kramer, N.J.,Laffan, S.B.,Masuria, P.I.,McDougal, A.V.,Mortenson, P.N.,Musetti, C.,Peckham, G.E.,Pietrak, B.L.,Poole, C.,Price, D.J.,Rendina, A.R.,Sati, G.,Saxty, G.,Shearer, B.G.,Shewchuk, L.M.,Sneddon, H.F.,Stewart, E.L.,Stuart, J.D.,Thomas, D.N.,Thomson, S.A.,Ward, P.,Wilson, J.W.,Xu, T.,Youngman, M.A.; The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure.; Bioorg.Med.Chem., 28:115791-115791, 2020; PubMed: 33059303; DOI: 10.1016/j.bmc.2020.115791

Experimental method

X-RAY DIFFRACTION (2.395 Å)