タイトル | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 14, Page 591-598, Year 2023 |
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掲載日 | 2022年5月25日 (構造データの登録日) |
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著者 | Grabe, T. / Jeyakumar, K. / Niggenaber, J. / Schulz, T. / Koska, S. / Kleinbolting, S. / Beck, M.E. / Muller, M.P. / Rauh, D. |
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リンク | Acs Med. Chem. Lett. / PubMed:37197473 |
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手法 | X線回折 |
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解像度 | 2.1 - 2.8 Å |
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構造データ | PDB-7zym: Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7zyn: Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7zyp: Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-7zyq: Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å |
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化合物 | ChemComp-6GY: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine / ブリガチニブ / 阻害剤*YM
ChemComp-0UN: N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide / WZ-4002
ChemComp-R25: propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
ChemComp-V58: phenyl 2-[[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-phenyl]amino]-4-(1H-indol-3-yl)pyrimidine-5-carboxylate
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / EGFR / T790M/C797S / inhibitor / T790M/V948R |
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