6JRJ
The structure of co-crystals of 8r-B-EGFR T790M/C797S complex
Summary for 6JRJ
| Entry DOI | 10.2210/pdb6jrj/pdb |
| Descriptor | Epidermal growth factor receptor, 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one (3 entities in total) |
| Functional Keywords | egfr t790m/c797s, inhibitor, complex, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 38092.53 |
| Authors | |
| Primary citation | Shen, J.,Zhang, T.,Zhu, S.J.,Sun, M.,Tong, L.,Lai, M.,Zhang, R.,Xu, W.,Wu, R.,Ding, J.,Yun, C.H.,Xie, H.,Lu, X.,Ding, K. Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S). J.Med.Chem., 62:7302-7308, 2019 Cited by PubMed Abstract: Tertiary EGFR mutation induced resistance against osimertinib () is an emerging "unmet clinical need" for non-small-cell lung cancer (NSCLC) patients. A series of 5-methylpyrimidopyridone derivatives were designed and synthesized as new selective EGFR inhibitors. A representative compound, , exhibited an IC of 27.5 nM against the EGFR mutant, while being a significantly less potent for EGFR (IC > 1.0 μM). Cocrystallographic structure determination and computational investigation were conducted to elucidate its target selectivity. PubMed: 31298540DOI: 10.1021/acs.jmedchem.9b00576 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.943 Å) |
Structure validation
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