タイトル | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. |
---|
ジャーナル・号・ページ | Rsc Med Chem, Vol. 13, Page 1420-1426, Year 2022 |
---|
掲載日 | 2022年5月23日 (構造データの登録日) |
---|
著者 | Brear, P. / De Fusco, C. / Atkinson, E.L. / Iegre, J. / Francis-Newton, N.J. / Venkitaraman, A.R. / Hyvonen, M. / Spring, D.R. |
---|
リンク | Rsc Med Chem / PubMed:36426237 |
---|
手法 | X線回折 |
---|
解像度 | 1.09 - 1.85 Å |
---|
構造データ | PDB-7zy0: Crystal structure of compound 7 bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.44 Å PDB-7zy2: Crystal structure of compound 7 bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.51 Å PDB-7zy5: Crystal structure of compound 2 bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-7zy8: Crystal structure of compound 2 bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7zyd: Structure of Compound 6 Bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.404 Å PDB-7zyk: Compound 9 Bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.31 Å PDB-7zyo: Compound 9 Bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-7zyr: Compound 20 Bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-8ae7: The strucuture of Compound 15 bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.28 Å PDB-8aec: Structure of Compound 17 bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-8aek: Structure of Compound 14 bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-8aem: Structure of Compound 13 bound to CK2alpha 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å |
---|
化合物 | ChemComp-KC0: 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile
ChemComp-KE0: 3-[3,5-bis(chloranyl)phenyl]propan-1-amine
ChemComp-KEC: 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile
ChemComp-KEX: 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole
ChemComp-KF6: 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole
ChemComp-LVU: 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile
ChemComp-LW3: 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile
ChemComp-LVL: 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile
ChemComp-LVF: 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile
|
---|
由来 | - homo sapiens (ヒト)
|
---|
キーワード | TRANSFERASE / Fragment based drug discovery / Fragment Based |
---|