タイトル | Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR. |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 7, Page 100-104, Year 2016 |
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掲載日 | 2015年11月5日 (構造データの登録日) |
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著者 | Bryan, M.C. / Burdick, D.J. / Chan, B.K. / Chen, Y. / Clausen, S. / Dotson, J. / Eigenbrot, C. / Elliott, R. / Hanan, E.J. / Heald, R. ...Bryan, M.C. / Burdick, D.J. / Chan, B.K. / Chen, Y. / Clausen, S. / Dotson, J. / Eigenbrot, C. / Elliott, R. / Hanan, E.J. / Heald, R. / Jackson, P. / La, H. / Lainchbury, M. / Malek, S. / Mann, S.E. / Purkey, H.E. / Schaefer, G. / Schmidt, S. / Seward, E. / Sideris, S. / Wang, S. / Yen, I. / Yu, C. / Heffron, T.P. |
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リンク | Acs Med. Chem. Lett. / PubMed:26819674 |
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手法 | X線回折 |
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解像度 | 2.65 - 2.81 Å |
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構造データ | PDB-5em5: EGFR kinase domain mutant "TMLR" with pyridone compound 2: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-5em6: EGFR kinase domain mutant "TMLR" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.78 Å PDB-5em7: EGFR kinase domain mutant "TMLR" with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.81 Å PDB-5em8: EGFR kinase domain with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å |
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化合物 | ChemComp-5Q2: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
ChemComp-5Q3: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
ChemComp-5Q4: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / protein kinase / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex |
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