タイトル | Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. |
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ジャーナル・号・ページ | Mol. Cancer Ther., Vol. 16, Page 1054-1067, Year 2017 |
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掲載日 | 2015年12月4日 (構造データの登録日) |
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著者 | Ember, S.W. / Lambert, Q.T. / Berndt, N. / Gunawan, S. / Ayaz, M. / Tauro, M. / Zhu, J.Y. / Cranfill, P.J. / Greninger, P. / Lynch, C.C. ...Ember, S.W. / Lambert, Q.T. / Berndt, N. / Gunawan, S. / Ayaz, M. / Tauro, M. / Zhu, J.Y. / Cranfill, P.J. / Greninger, P. / Lynch, C.C. / Benes, C.H. / Lawrence, H.R. / Reuther, G.W. / Lawrence, N.J. / Schonbrunn, E. |
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リンク | Mol. Cancer Ther. / PubMed:28336808 |
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手法 | X線回折 |
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解像度 | 1.35 - 1.76 Å |
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構造データ | PDB-5f5z: Crystal structure of the first bromodomain of human BRD4 in complex with MA2-014 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-5f60: Crystal structure of the first bromodomain of human BRD4 in complex with SG3-014 手法: X-RAY DIFFRACTION / 解像度: 1.35 Å PDB-5f61: Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-1 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-5f62: Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-2 手法: X-RAY DIFFRACTION / 解像度: 1.35 Å PDB-5f63: Crystal structure of the first bromodomain of human BRD4 in complex with SG3-179 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å |
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化合物 | ChemComp-5VY: 2-methyl-~{N}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide
ChemComp-5VZ: ~{N}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
ChemComp-5W0: ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
ChemComp-5W1: ~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
ChemComp-5W2: 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide
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由来 | homo sapiens (ヒト)
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キーワード | TRANSCRIPTION/TRANSCRIPTION INHIBITOR / BROMODOMAIN / CAP / HUNK1 / MCAP / PROTEIN BINDING-INHIBITOR COMPLEX / MITOTIC CHROMOSOME ASSOCIATED PROTEIN / CELL CYCLE / INHIBITOR / TRANSCRIPTION-INHIBITOR COMPLEX / TRANSCRIPTION-TRANSCRIPTION INHIBITOR complex / ROMODOMAIN |
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