タイトル Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. ジャーナル・号・ページ J. Med. Chem. , Vol. 65, Page 5760-5799, Year 2022掲載日 2022年1月7日 (構造データの登録日) 著者Li, J. / Zhang, C. / Xu, H. / Wang, C. / Dong, R. / Shen, H. / Zhuang, X. / Chen, X. / Li, Q. / Lu, J. ...Li, J. / Zhang, C. / Xu, H. / Wang, C. / Dong, R. / Shen, H. / Zhuang, X. / Chen, X. / Li, Q. / Lu, J. / Zhang, M. / Wu, X. / Loomes, K.M. / Zhou, Y. / Zhang, Y. / Liu, J. / Xu, Y. リンク J. Med. Chem. / PubMed:35333526手法 X線回折 解像度 1.7 - 3.12 Å 構造データ PDB-7wjs : 構造ビューア Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 手法 : X-RAY DIFFRACTION / 解像度 : 2.73 Å
PDB-7wky : 構造ビューア Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 手法 : X-RAY DIFFRACTION / 解像度 : 2.83 Å
PDB-7wln : 構造ビューア Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 手法 : X-RAY DIFFRACTION / 解像度 : 2.85 Å
PDB-7wmq : 構造ビューア Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 手法 : X-RAY DIFFRACTION / 解像度 : 2.37 Å
PDB-7wmu : 構造ビューア Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 手法 : X-RAY DIFFRACTION / 解像度 : 1.73 Å
PDB-7wn5 : 構造ビューア Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 手法 : X-RAY DIFFRACTION / 解像度 : 1.7 Å
PDB-7wna : 構造ビューア Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 手法 : X-RAY DIFFRACTION / 解像度 : 2.6 Å
PDB-7wni : 構造ビューア Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 手法 : X-RAY DIFFRACTION / 解像度 : 3.12 Å
化合物 ChemComp-JFL : 構造ビューア 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
ChemComp-JFR : 構造ビューア 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
ChemComp-JGF : 構造ビューア ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
ChemComp-JGL : 構造ビューア ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
ChemComp-JGR : 構造ビューア ~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
ChemComp-JGU : 構造ビューア 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
由来 homo sapiens (ヒト) キーワード PROTEIN BINDING / BRD4 / Bromodomain / Inhibitor / BRD2-BD2