タイトル | Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis. |
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ジャーナル・号・ページ | Proc. Natl. Acad. Sci. U.S.A., Vol. 114, Page E1072-E1080, Year 2017 |
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掲載日 | 2016年11月30日 (構造データの登録日) |
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著者 | Andrews, F.H. / Singh, A.R. / Joshi, S. / Smith, C.A. / Morales, G.A. / Garlich, J.R. / Durden, D.L. / Kutateladze, T.G. |
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リンク | Proc. Natl. Acad. Sci. U.S.A. / PubMed:28137841 |
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手法 | X線回折 |
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解像度 | 1.798 - 3.3 Å |
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構造データ | PDB-5u28: BRD4 first bromodomain (BD1) in complex with dual PI3 kinase inhibitor SF2523 手法: X-RAY DIFFRACTION / 解像度: 1.798 Å PDB-5u2c: BRD4 second bromodomain (BD2) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA 手法: X-RAY DIFFRACTION / 解像度: 3.3 Å PDB-5u2e: BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535 手法: X-RAY DIFFRACTION / 解像度: 1.991 Å PDB-5u2f: BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA 手法: X-RAY DIFFRACTION / 解像度: 2.525 Å |
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化合物 | ChemComp-82V: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one
ChemComp-82Y: N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
ChemComp-837: ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate
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由来 | homo sapiens (ヒト)
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キーワード | TRANSCRIPTION REGULATOR/INHIBITOR / bromodomain / transcription / inhibitor / epigenetics / TRANSCRIPTION REGULATOR-INHIBITOR complex |
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