タイトル | Lead-Opt: An efficient tool for structural optimization of lead compounds |
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ジャーナル・号・ページ | To Be Published |
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掲載日 | 2019年12月4日 (構造データの登録日) |
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著者 | Xu, H. / Zuo, Y. / Zhang, H. / Luo, C. |
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リンク | PubMedで検索 |
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手法 | X線回折 |
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解像度 | 1.58 - 1.98 Å |
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構造データ | PDB-6lg4: crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-1024 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-6lg5: Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1038 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-6lg6: Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1021 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-6lg7: Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-2030 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-6lg8: crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-2138 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-6lg9: crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-2143 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å |
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化合物 | ChemComp-EC3: 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one
ChemComp-EC9: N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
ChemComp-ECF: 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
ChemComp-ECR: 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
ChemComp-ECU: 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSCRIPTION / BRD4 / Inhibitor / Complex / DNA BINDING PROTEIN |
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