6PS9

Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 17 (5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one)

Summary for 6PS9

• Entry DOI: 10.2210/pdb6ps9/pdb
• Descriptor: Bromodomain-containing protein 4, 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one (3 entities in total)
• Functional Keywords: brd4 bd1, bromodomain, olinone, protein binding
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 15279.56

Authors

Ilyichova, O.V.,Scanlon, M.J. (deposition date: 2019-07-12, release date: 2019-11-27, Last modification date: 2023-10-11)

• Primary citation: Hilton-Proctor, J.P.,Ilyichova, O.,Zheng, Z.,Jennings, I.G.,Johnstone, R.W.,Shortt, J.,Mountford, S.J.,Scanlon, M.J.,Thompson, P.E.; Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.; Bioorg.Med.Chem., 27:115157-115157, 2019; PubMed: 31727451; DOI: 10.1016/j.bmc.2019.115157

Experimental method

X-RAY DIFFRACTION (1.21 Å)