8PO3

Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]

8PO3 の概要

• エントリーDOI: 10.2210/pdb8po3/pdb
• 分子名称: Epidermal growth factor receptor, 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one (3 entities in total)
• 機能のキーワード: egfr, exon 20 insertion, non-small cell lung cancer, oncology, signaling protein
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 38115.01

構造登録者

Hargreaves, D. (登録日: 2023-07-03, 公開日: 2024-06-05, 最終更新日: 2024-06-19)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.13 Å)