8WD4

EGFR(L858R/T790/C797S) in complex with compound 5j

Summary for 8WD4

• Entry DOI: 10.2210/pdb8wd4/pdb
• Descriptor: Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: egfr, c797s, drug discovery, oncoprotein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 37976.33

Authors

Nishikawa, Y. (deposition date: 2023-09-14, release date: 2023-12-20, Last modification date: 2024-01-03)

• Primary citation: Kageji, H.,Momose, T.,Nagamoto, Y.,Togashi, N.,Yasumatsu, I.,Nishikawa, Y.,Kihara, K.,Hiramoto, K.,Minami, M.,Kasanuki, N.,Isoyama, T.,Naito, H.; Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation.; Bioorg.Med.Chem.Lett., 98:129575-129575, 2023; PubMed: 38065292; DOI: 10.1016/j.bmcl.2023.129575

Experimental method

X-RAY DIFFRACTION (2.55 Å)