7JR6

H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors

Summary for 7JR6

• Entry DOI: 10.2210/pdb7jr6/pdb
• Related: 6ZTC
• Descriptor: Hematopoietic prostaglandin D synthase, GLUTATHIONE, 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, ... (6 entities in total)
• Functional Keywords: hematopoietic prostaglandin d2 synthase, inhibitor, isomerase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 48365.98

Authors

Nolte, R.T.,Somers, D.O.,Gampe, R.T. (deposition date: 2020-08-11, release date: 2021-05-26, Last modification date: 2024-03-06)

• 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: 33991628; DOI: 10.1016/j.bmcl.2021.128113

Experimental method

X-RAY DIFFRACTION (1.88 Å)