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 and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
ジャーナル・号・ページ	Bioorg. Med. Chem., Vol. 78, Page 117130-117130, Year 2022
掲載日	2022年10月5日 (構造データの登録日)
著者	Orsi, D.L. / Ferrara, S.J. / Siegel, S. / Friberg, A. / Bouche, L. / Pook, E. / Lienau, P. / Bluck, J.P. / Lemke, C.T. / Akcay, G. ...Orsi, D.L. / Ferrara, S.J. / Siegel, S. / Friberg, A. / Bouche, L. / Pook, E. / Lienau, P. / Bluck, J.P. / Lemke, C.T. / Akcay, G. / Stellfeld, T. / Meyer, H. / Putter, V. / Holton, S.J. / Korr, D. / Jerchel-Furau, I. / Pantelidou, C. / Strathdee, C.A. / Meyerson, M. / Eis, K. / Goldstein, J.T.
リンク	Bioorg. Med. Chem. / PubMed:36542958
手法	X線回折
解像度	1.55 - 2.23 Å
構造データ	PDB-8b8w: Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a) 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-8b8x: Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-8b8y: Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-8b8z: Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound 7e) 手法: X-RAY DIFFRACTION / 解像度: 2.22 Å PDB-8b90: Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d) 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-8b91: Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1) 手法: X-RAY DIFFRACTION / 解像度: 2.23 Å PDB-8b92: Crystal structure of PPARG and NCOR2 with an inverse agonist (compound SI-2) 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-8b93: Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b) 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-8b94: Crystal structure of PPARG and NCOR2 with BAY-5516, an inverse agonist 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-8b95: Crystal structure of PPARG and NCOR2 with BAY-9683, an inverse agonist 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å
化合物	ChemComp-Q2X: 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-HOH: WATER ChemComp-A8R: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid ChemComp-Q33: 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide ChemComp-Q1R: 5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide ChemComp-Q4O: ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide ChemComp-Q5X: 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-Q8F: 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide ChemComp-Q5O: ~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide ChemComp-Q4C: ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide
由来	homo sapiens (ヒト)
キーワード	TRANSCRIPTION / nuclear hormone receptor transcription factor