7R2B

PI3Kdelta in complex with an inhibitor

Summary for 7R2B

• Entry DOI: 10.2210/pdb7r2b/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one (3 entities in total)
• Functional Keywords: kinase, complex, inhibitor, hydrolase
• Biological source: Mus musculus (house mouse)
• Total number of polymer chains: 1
• Total formula weight: 108249.03

Authors

Gutmann, S.,Rummel, G.,Shrestha, B. (deposition date: 2022-02-04, release date: 2022-05-18, Last modification date: 2024-01-31)

• Primary citation: Fairhurst, R.A.,Furet, P.,Imbach-Weese, P.,Stauffer, F.,Rueeger, H.,McCarthy, C.,Ripoche, S.,Oswald, S.,Arnaud, B.,Jary, A.,Maira, M.,Schnell, C.,Guthy, D.A.,Wartmann, M.,Kiffe, M.,Desrayaud, S.,Blasco, F.,Widmer, T.,Seiler, F.,Gutmann, S.,Knapp, M.,Caravatti, G.; Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.; J.Med.Chem., 65:8345-8379, 2022; PubMed: 35500094; DOI: 10.1021/acs.jmedchem.2c00267

Experimental method

X-RAY DIFFRACTION (2.7 Å)