8PO1

Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]

Summary for 8PO1

• Entry DOI: 10.2210/pdb8po1/pdb
• Descriptor: Epidermal growth factor receptor, 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, IODIDE ION, ... (4 entities in total)
• Functional Keywords: egfr, exon 20 insertion, non-small cell lung cancer, oncology, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 40848.31

Authors

Hargreaves, D. (deposition date: 2023-07-03, release date: 2024-06-05, Last modification date: 2024-06-19)

• Primary citation: Thomson, C.,Barton, P.,Braybrooke, E.,Colclough, N.,Dong, Z.,Evans, L.,Floc'h, N.,Guerot, C.,Hargreaves, D.,Khurana, P.,Li, S.,Li, X.,Lister, A.,McCoull, W.,McWilliams, L.,Orme, J.P.,Packer, M.J.,Swaih, A.M.,Ward, R.A.,Winlow, P.,Ye, Y.; Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.; J.Med.Chem., 67:8988-9027, 2024; PubMed: 38770784; DOI: 10.1021/acs.jmedchem.4c00227

Experimental method

X-RAY DIFFRACTION (2.11 Å)