5FTG

Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a)

Summary for 5FTG

• Entry DOI: 10.2210/pdb5ftg/pdb
• Descriptor: CHOLINE KINASE ALPHA, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: transferase, biscationic inhibitor, docking studies
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 1
• Total formula weight: 45569.21

Authors

Schiaffino-Ortega, S.,Baglioni, E.,Mariotto, E.,Bortolozzi, R.,Serran-Aguilera, L.,Rios-Marco, P.,Carrasco-Jimenez, M.P.,Gallo, M.A.,Hurtado-Guerrero, R.,Marco, C.,Basso, G.,Viola, G.,Entrena, A.,Lopez-Cara, L.C. (deposition date: 2016-01-13, release date: 2016-03-23, Last modification date: 2024-01-10)

• Primary citation: Schiaffino-Ortega, S.,Baglioni, E.,Mariotto, E.,Bortolozzi, R.,Serran-Aguilera, L.,Rios-Marco, P.,Carrasco-Jimenez, M.P.,Gallo, M.A.,Hurtado-Guerrero, R.,Marco, C.,Basso, G.,Viola, G.,Entrena, A.,Lopez-Cara, L.C.; Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1); Sci.Rep., 6:23793-, 2016; PubMed: 27029499; DOI: 10.1038/SREP23793

Experimental method

X-RAY DIFFRACTION (1.45 Å)