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	Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
ジャーナル・号・ページ	J. Med. Chem., Vol. 62, Page 5579-5593, Year 2019
掲載日	2018年10月22日 (構造データの登録日)
著者	Zhang, X. / Dong, G. / Li, H. / Chen, W. / Li, J. / Feng, C. / Gu, Z. / Zhu, F. / Zhang, R. / Li, M. ...Zhang, X. / Dong, G. / Li, H. / Chen, W. / Li, J. / Feng, C. / Gu, Z. / Zhu, F. / Zhang, R. / Li, M. / Tang, W. / Liu, H. / Xu, Y.
リンク	J. Med. Chem. / PubMed:31099559
手法	X線回折
解像度	1.46 - 1.999 Å
構造データ	PDB-6im6: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.702 Å PDB-6imb: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.549 Å PDB-6imd: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.499 Å PDB-6imi: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.46 Å PDB-6imo: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-6imr: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.503 Å PDB-6imt: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.483 Å PDB-6ind: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.872 Å PDB-6ink: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6inm: Crystal structure of PDE4D complexed with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.999 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-AH3: 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER ChemComp-AH9: 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde / 6,7-ジメトキシ-3,4-ジヒドロイソキノリン-2(1H)-カルボアルデヒド ChemComp-AH6: 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde ChemComp-AJL: (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde ChemComp-AJX: (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde ChemComp-AK0: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde ChemComp-AKO: (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde ChemComp-AKU: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
由来	homo sapiens (ヒト)
キーワード	HYDROLASE/HYDROLASE INHIBITOR / PDE4D / Inhibitor / Complex / Apremilast / HYDROLASE-HYDROLASE INHIBITOR complex / HYDROLASE