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 Cited by PubMed Abstract: The C797S mutation is one of the major factors behind resistance to the third-generation epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors. Herein, we describe the discovery of the 2,4-diaminonicotinamide derivative 5j, which shows potent inhibitory activity against EGFR del19/T790M/C797S and L858R/T790M/C797S. We also report the structure-activity relationship of the 2,4-diaminonicotinamide derivatives and the co-crystal structure of 5j and EGFR del19/T790M/C797S. PubMed: 38065292DOI: 10.1016/j.bmcl.2023.129575 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.55 Å) |
Structure validation
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