EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
ジャーナル・号・ページ	J. Med. Chem., Vol. 59, Page 2005-2024, Year 2016
掲載日	2016年1月8日 (構造データの登録日)
著者	Cheng, H. / Nair, S.K. / Murray, B.W. / Almaden, C. / Bailey, S. / Baxi, S. / Behenna, D. / Cho-Schultz, S. / Dalvie, D. / Dinh, D.M. ...Cheng, H. / Nair, S.K. / Murray, B.W. / Almaden, C. / Bailey, S. / Baxi, S. / Behenna, D. / Cho-Schultz, S. / Dalvie, D. / Dinh, D.M. / Edwards, M.P. / Feng, J.L. / Ferre, R.A. / Gajiwala, K.S. / Hemkens, M.D. / Jackson-Fisher, A. / Jalaie, M. / Johnson, T.O. / Kania, R.S. / Kephart, S. / Lafontaine, J. / Lunney, B. / Liu, K.K. / Liu, Z. / Matthews, J. / Nagata, A. / Niessen, S. / Ornelas, M.A. / Orr, S.T. / Pairish, M. / Planken, S. / Ren, S. / Richter, D. / Ryan, K. / Sach, N. / Shen, H. / Smeal, T. / Solowiej, J. / Sutton, S. / Tran, K. / Tseng, E. / Vernier, W. / Walls, M. / Wang, S. / Weinrich, S.L. / Xin, S. / Xu, H. / Yin, M.J. / Zientek, M. / Zhou, R. / Kath, J.C.
リンク	J. Med. Chem. / PubMed:26756222
手法	X線回折
解像度	1.42 - 2.15 Å
構造データ	PDB-5hg5: EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-5hg7: EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988) 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-5hg8: EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-5hg9: EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å
化合物	ChemComp-633: N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-HOH: WATER ChemComp-630: 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one ChemComp-634: N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide ChemComp-63A: 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE/TRANSFERASE INHIBITOR / EGFR / Inhibitor / Complex / Lung Cancer / TRANSFERASE-TRANSFERASE INHIBITOR complex / Kinase