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5FED

EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor.

Summary for 5FED
Entry DOI10.2210/pdb5fed/pdb
Related5FEE
DescriptorEpidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (3 entities in total)
Functional Keywordskinase, inhibitor, covalently-bound, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationCell membrane; Single-pass type I membrane protein. Isoform 2: Secreted: P00533
Total number of polymer chains1
Total formula weight37833.69
Authors
DiDonato, M.,Spraggon, G. (deposition date: 2015-12-16, release date: 2016-07-27, Last modification date: 2023-09-27)
Primary citationLelais, 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
Cited by
PubMed: 27433829
DOI: 10.1021/acs.jmedchem.5b01985
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.651 Å)
Structure validation

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