9FL0

Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors

This is a non-PDB format compatible entry.

Summary for 9FL0

• Entry DOI: 10.2210/pdb9fl0/pdb
• Descriptor: Bcl-2-related protein A1, ~{N}-[(4-chlorophenyl)methyl]-~{N}-(4-fluorophenyl)prop-2-enamide (3 entities in total)
• Functional Keywords: bfl-1, bcl-2-related protein a1, covalent, apoptosis
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 35465.24

Authors

Hargreaves, D. (deposition date: 2024-06-04, release date: 2024-10-02)

• Primary citation: Lucas, S.C.C.,Blackwell, J.H.,Borjesson, U.,Hargreaves, D.,Milbradt, A.G.,Bostock, M.J.,Ahmed, S.,Beaumont, K.,Cheung, T.,Demanze, S.,Gohlke, A.,Guerot, C.,Haider, A.,Kantae, V.,Kauffman, G.W.,Kinzel, O.,Kupcova, L.,Lainchbury, M.D.,Lamb, M.L.,Leon, L.,Palisse, A.,Sacchetto, C.,Storer, R.I.,Su, N.,Thomson, C.,Vales, J.,Chen, Y.,Hu, X.; Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.; J.Med.Chem., 2024; PubMed: 39291659; DOI: 10.1021/acs.jmedchem.4c01288

Experimental method

X-RAY DIFFRACTION (1.94 Å)