8A2A

EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide (form 2)

Summary for 8A2A

• Entry DOI: 10.2210/pdb8a2a/pdb
• Related: 8A27
• Descriptor: Epidermal growth factor receptor, (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: kinase inhibitor, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 37995.90

Authors

Kuglstatter, A.,Ehler, A. (deposition date: 2022-06-03, release date: 2022-10-19, Last modification date: 2024-01-31)

• Primary citation: Obst-Sander, U.,Ricci, A.,Kuhn, B.,Friess, T.,Koldewey, P.,Kuglstatter, A.,Hewings, D.,Goergler, A.,Steiner, S.,Rueher, D.,Imhoff, M.P.,Raschetti, N.,Marty, H.P.,Dietzig, A.,Rynn, C.,Ehler, A.,Burger, D.,Kornacker, M.,Schaffland, J.P.,Herting, F.,Pao, W.,Bischoff, J.R.,Martoglio, B.,Alice Nagel, Y.,Jaeschke, G.; Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.; J.Med.Chem., 65:13052-13073, 2022; PubMed: 36178776; DOI: 10.1021/acs.jmedchem.2c00893

Experimental method

X-RAY DIFFRACTION (1.43 Å)