EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
ジャーナル・号・ページ	J. Med. Chem., Vol. 59, Page 1565-1579, Year 2016
掲載日	2015年7月20日 (構造データの登録日)
著者	Xue, X. / Zhang, Y. / Liu, Z. / Song, M. / Xing, Y. / Xiang, Q. / Wang, Z. / Tu, Z. / Zhou, Y. / Ding, K. / Xu, Y.
リンク	J. Med. Chem. / PubMed:26731490
手法	X線回折
解像度	1.49 - 2.51 Å
構造データ	PDB-5coi: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-5cp5: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-5cpe: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-5cqt: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-5crm: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-5crz: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 2.12 Å PDB-5cs8: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-5ctl: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 2.51 Å PDB-5cy9: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-5d0c: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 1.49 Å PDB-5dx4: Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å
化合物	ChemComp-55K: 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid ChemComp-HOH: WATER ChemComp-EB0: 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-NO3: NITRATE ION ChemComp-EB2: N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide ChemComp-EB3: N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide ChemComp-EB5: N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-EB7: 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide ChemComp-EB8: methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate ChemComp-EB9: N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide ChemComp-E0A: N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide ChemComp-E0B: N-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide ChemComp-E0C*: 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide / N-(1-エチル-2-オキソ-1,2-ジヒドロベンゾ[cd]インド-ル-6-イル)-2-メトキシ-5-ブロモベンゼンス(以下略)
由来	homo sapiens (ヒト)
キーワード	SIGNALING PROTEIN/INHIBITOR / BRD4 / Bromodomain / Four Alpha Helices / Transcription-transcr / SIGNALING PROTEIN-INHIBITOR complex / BROMODOMAIN BINDING INHIBITOR