2I40

Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor

2I40 の概要

• エントリーDOI: 10.2210/pdb2i40/pdb
• 関連するPDBエントリー: 1FIN
• 分子名称: Cell division protein kinase 2, Cyclin-A2, 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE, ... (4 entities in total)
• 機能のキーワード: cdk2, cyclin, kinase, transferase-cell cycle complex, transferase/cell cycle
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Nucleus: P20248
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 128603.86

構造登録者

Shewchuk, L.M. (登録日: 2006-08-21, 公開日: 2006-10-10, 最終更新日: 2023-08-30)

主引用文献

Bamborough, P.,Christopher, J.A.,Cutler, G.J.,Dickson, M.C.,Mellor, G.W.,Morey, J.V.,Patel, C.B.,Shewchuk, L.M.
5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase
Bioorg.Med.Chem.Lett., 16:6236-6240, 2006

PubMed Abstract: The identification and hit-to-lead exploration of a novel, potent and selective series of substituted benzimidazole-thiophene carbonitrile inhibitors of IKK-epsilon kinase is described. Compound 12e was identified with an IKK-epsilon enzyme potency of pIC(50) 7.4, and has a highly encouraging wider selectivity profile, including selectivity within the IKK kinase family.

PubMed: 16997559
DOI: 10.1016/j.bmcl.2006.09.018

実験手法

X-RAY DIFFRACTION (2.8 Å)