5EQY

Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65)

5EQY の概要

• エントリーDOI: 10.2210/pdb5eqy/pdb
• 関連するPDBエントリー: 5EQE 5EQP
• 分子名称: Choline kinase alpha, 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (3 entities in total)
• 機能のキーワード: kinase, inhibitor, drug target, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: P35790
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 94576.19

構造登録者

Zhou, T.,Zhu, X.,Dalgarno, D.C. (登録日: 2015-11-13, 公開日: 2016-01-06, 最終更新日: 2023-09-27)

• 主引用文献: Zech, S.G.,Kohlmann, A.,Zhou, T.,Li, F.,Squillace, R.M.,Parillon, L.E.,Greenfield, M.T.,Miller, D.P.,Qi, J.,Thomas, R.M.,Wang, Y.,Xu, Y.,Miret, J.J.,Shakespeare, W.C.,Zhu, X.,Dalgarno, D.C.; Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.; J.Med.Chem., 59:671-686, 2016; PubMed: 26700752; DOI: 10.1021/acs.jmedchem.5b01552

実験手法

X-RAY DIFFRACTION (2.5 Å)