8PO3

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

Summary for 8PO3

Entry DOI	10.2210/pdb8po3/pdb
Descriptor	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)
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	38115.01
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 Cited by PubMed: 38770784 DOI: 10.1021/acs.jmedchem.4c00227 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.13 Å)

Structure validation