タイトル | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. |
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ジャーナル・号・ページ | ACS Omega, Vol. 2, Page 4760-4771, Year 2017 |
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掲載日 | 2016年9月30日 (構造データの登録日) |
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著者 | Allen, B.K. / Mehta, S. / Ember, S.W.J. / Zhu, J.Y. / Schonbrunn, E. / Ayad, N.G. / Schurer, S.C. |
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リンク | ACS Omega / PubMed:28884163 |
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手法 | X線回折 |
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解像度 | 1.62 - 1.83 Å |
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構造データ | PDB-5ti2: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 7635936 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5ti3: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 17503468 手法: X-RAY DIFFRACTION / 解像度: 1.703 Å PDB-5ti4: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841871 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-5ti5: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841880 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-5ti6: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841881 手法: X-RAY DIFFRACTION / 解像度: 1.704 Å PDB-5ti7: CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 17528462 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å |
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化合物 | ChemComp-7CJ: 3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
ChemComp-7CG: 2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
ChemComp-7CM: 3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
ChemComp-7CN: 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
ChemComp-7CO: 2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
ChemComp-7CQ: 5-bromo-2-methoxy-N-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide
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由来 | - homo sapiens (ヒト)
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キーワード | Transcription/Inhibitor / BROMODOMAIN / CAP / HUNK1 / MCAP / PROTEIN BINDING-INHIBITOR COMPLEX / MITOTIC CHROMOSOME ASSOCIATED PROTEIN / CELL CYCLE / INHIBITOR / TRANSCRIPTION-INHIBITOR COMPLEX |
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