5EM5

EGFR kinase domain mutant "TMLR" with pyridone compound 2: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide

Summary for 5EM5

• Entry DOI: 10.2210/pdb5em5/pdb
• Related: 5EM6 5EM7 5EM8
• Descriptor: Epidermal growth factor receptor, 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide (3 entities in total)
• Functional Keywords: protein kinase, inhibitor, 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: 38015.37

Authors

Eigenbrot, C.,Yu, C. (deposition date: 2015-11-05, release date: 2015-12-30, Last modification date: 2024-03-06)

Primary citation

Bryan, M.C.,Burdick, D.J.,Chan, B.K.,Chen, Y.,Clausen, S.,Dotson, J.,Eigenbrot, C.,Elliott, R.,Hanan, E.J.,Heald, R.,Jackson, P.,La, H.,Lainchbury, M.,Malek, S.,Mann, S.E.,Purkey, H.E.,Schaefer, G.,Schmidt, S.,Seward, E.,Sideris, S.,Wang, S.,Yen, I.,Yu, C.,Heffron, T.P.
Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7:100-104, 2016

PubMed Abstract: The rapid advancement of a series of noncovalent inhibitors of T790M mutants of EGFR is discussed. The optimization of pyridone 1, a nonselective high-throughput screening hit, to potent molecules with high levels of selectivity over wtEGFR and the broader kinome is described herein.

PubMed: 26819674
DOI: 10.1021/acsmedchemlett.5b00428

Experimental method

X-RAY DIFFRACTION (2.65 Å)