タイトル | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 59, Page 1518-1530, Year 2016 |
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掲載日 | 2015年8月5日 (構造データの登録日) |
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著者 | Hugle, M. / Lucas, X. / Weitzel, G. / Ostrovskyi, D. / Breit, B. / Gerhardt, S. / Einsle, O. / Gunther, S. / Wohlwend, D. |
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リンク | J. Med. Chem. / PubMed:26731611 |
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手法 | X線回折 |
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解像度 | 1.5 - 2.2 Å |
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構造データ | PDB-5d24: First bromodomain of BRD4 bound to inhibitor XD26 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5d25: First bromodomain of BRD4 bound to inhibitor XD27 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5d26: First bromodomain of BRD4 bound to inhibitor XD28 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-5d3h: First bromodomain of BRD4 bound to inhibitor XD29 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5d3j: First bromodomain of BRD4 bound to inhibitor XD33 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5d3l: First bromodomain of BRD4 bound to inhibitor XD35 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5d3n: First bromodomain of BRD4 bound to inhibitor XD40 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5d3p: First bromodomain of BRD4 bound to inhibitor XD41 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5d3r: First bromodomain of BRD4 bound to inhibitor XD42 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5d3s: First bromodomain of BRD4 bound to inhibitor XD44 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5d3t: First bromodomain of BRD4 bound to inhibitor XD47 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å |
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化合物 | ChemComp-L26: 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
ChemComp-56M: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
ChemComp-L28: N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide
ChemComp-L33: 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
ChemComp-57F: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
ChemComp-L40: 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide
ChemComp-57E: 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide
ChemComp-57C: 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
ChemComp-579: 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide
ChemComp-56Y: 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSCRIPTION / Gene regulation / Inhibitor / bromodomain |
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