5FEE

EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.

Summary for 5FEE

• Entry DOI: 10.2210/pdb5fee/pdb
• Related: 5FED
• Descriptor: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (3 entities in total)
• Functional Keywords: kinase, inhibitor, covalently bound, t790m, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cell membrane; Single-pass type I membrane protein. Isoform 2: Secreted: P00533
• Total number of polymer chains: 1
• Total formula weight: 37863.78

Authors

DiDonato, M.,Spraggon, G. (deposition date: 2015-12-16, release date: 2016-07-27, Last modification date: 2023-09-27)

• Primary citation: Lelais, G.,Epple, R.,Marsilje, T.H.,Long, Y.O.,McNeill, M.,Chen, B.,Lu, W.,Anumolu, J.,Badiger, S.,Bursulaya, B.,DiDonato, M.,Fong, R.,Juarez, J.,Li, J.,Manuia, M.,Mason, D.E.,Gordon, P.,Groessl, T.,Johnson, K.,Jia, Y.,Kasibhatla, S.,Li, C.,Isbell, J.,Spraggon, G.,Bender, S.,Michellys, P.Y.; Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.; J.Med.Chem., 59:6671-6689, 2016; PubMed: 27433829; DOI: 10.1021/acs.jmedchem.5b01985

Experimental method

X-RAY DIFFRACTION (2.7 Å)