5AFV

Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.

5AFV の概要

• エントリーDOI: 10.2210/pdb5afv/pdb
• 分子名称: CHOLINE KINASE ALPHA, 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium, ... (4 entities in total)
• 機能のキーワード: transferase, virtual screening, pharmacophore
• 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: 90096.21

構造登録者

Serran-Aguilera, L.,Nuti, R.,Lopez-Cara, L.C.,Gallo Mezo, M.A.,Macchiarulo, A.,Entrena, A.,Hurtado-Guerrero, R. (登録日: 2015-01-26, 公開日: 2015-03-18, 最終更新日: 2024-01-10)

• 主引用文献: Serran-Aguilera, L.,Nuti, R.,Lopez-Cara, L.C.,Gallo Mezo, M.A.,Macchiarulo, A.,Entrena, A.,Hurtado-Guerrero, R.; Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1; Mol Inform, 34:458-, 2015; PubMed: 27490389; DOI: 10.1002/MINF.201400140

実験手法

X-RAY DIFFRACTION (2.25 Å)