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	Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
ジャーナル・号・ページ	J. Med. Chem., Vol. 64, Page 3165-3184, Year 2021
掲載日	2020年11月6日 (構造データの登録日)
著者	Nissink, J.W.M. / Bazzaz, S. / Blackett, C. / Clark, M.A. / Collingwood, O. / Disch, J.S. / Gikunju, D. / Goldberg, K. / Guilinger, J.P. / Hardaker, E. ...Nissink, J.W.M. / Bazzaz, S. / Blackett, C. / Clark, M.A. / Collingwood, O. / Disch, J.S. / Gikunju, D. / Goldberg, K. / Guilinger, J.P. / Hardaker, E. / Hennessy, E.J. / Jetson, R. / Keefe, A.D. / McCoull, W. / McMurray, L. / Olszewski, A. / Overman, R. / Pflug, A. / Preston, M. / Rawlins, P.B. / Rivers, E. / Schimpl, M. / Smith, P. / Truman, C. / Underwood, E. / Warwicker, J. / Winter-Holt, J. / Woodcock, S. / Zhang, Y.
リンク	J. Med. Chem. / PubMed:33683117
手法	X線回折
解像度	1.893 - 2.44 Å
構造データ	PDB-7avx: MerTK kinase domain in complex with NPS-1034 手法: X-RAY DIFFRACTION / 解像度: 2.44 Å PDB-7avy: MerTK kinase domain in complex with quinazoline-based inhbitor 手法: X-RAY DIFFRACTION / 解像度: 2.31 Å PDB-7avz: MerTK kinase domain in complex with a bisaminopyrimidine inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-7aw0: MerTK kinase domain in complex with purine inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.893 Å PDB-7aw1: MerTK kinase domain in complex with a type 2 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-7aw2: MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7aw3: MerTK kinase domain with type 1 inhibitor from a DNA-encoded library 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-7aw4: MerTK kinase domain with type 3 inhibitor from a DNA-encoded library 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å
化合物	ChemComp-S4K: 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide / N-[3-フルオロ-4-(3-フェニル-1H-ピロロ[2,3-b]ピリジン-4-イルオキシ)フェニル]-1-(4-フル(以下略) ChemComp-HOH: WATER ChemComp-S4E: N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-S4N: (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine ChemComp-S4Q: 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine ChemComp-S4T: N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide ChemComp-S4W: 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine ChemComp-S4Z: 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide ChemComp-S5E: 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide ChemComp-CL: Unknown entry / クロリド ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル
由来	homo sapiens (ヒト)
キーワード	SIGNALING PROTEIN / tyrosine kinase / inhibitor / type1.5 kinase inhibitor / type2 kinase inhibitor / structure-based drug design / oncology / type3 kinase inhibitor / type1 kinase inhibitor / high-throughput screening / DNA-encoded library / DNA encoded library