タイトル | Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors. |
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ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 191, Page 112120-112120, Year 2020 |
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掲載日 | 2020年2月14日 (構造データの登録日) |
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著者 | Hilton-Proctor, J.P. / Ilyichova, O. / Zheng, Z. / Jennings, I.G. / Johnstone, R.W. / Shortt, J. / Mountford, S.J. / Scanlon, M.J. / Thompson, P.E. |
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リンク | Eur. J. Med. Chem. / PubMed:32120339 |
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手法 | X線回折 |
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解像度 | 1.48 - 1.59 Å |
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構造データ | PDB-6vub: Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 5 (1-methyl-4-phenylpyrrolidin-2-one) 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6vuc: Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 7b (1-methyl-4-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one) 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-6vuf: Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 7h (4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propylbenzenesulfonamide) 手法: X-RAY DIFFRACTION / 解像度: 1.59 Å PDB-6vuj: Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 15c (N,N-diethyl-3',4'-dimethoxy-6-(1-methyl-5-oxopyrrolidin-3-yl)-[1,1'-biphenyl]-3-sulfonamide) 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å |
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化合物 | ChemComp-RLS: (4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
ChemComp-RLV: 4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide
ChemComp-RLY: N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide
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由来 | - homo sapiens (ヒト)
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キーワード | PROTEIN BINDING / BRD4 BD1 / Bromodomain / NMP |
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