6VUJ

Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 15c (N,N-diethyl-3',4'-dimethoxy-6-(1-methyl-5-oxopyrrolidin-3-yl)-[1,1'-biphenyl]-3-sulfonamide)

Summary for 6VUJ

• Entry DOI: 10.2210/pdb6vuj/pdb
• Descriptor: Bromodomain-containing protein 4, NITRATE ION, N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide, ... (4 entities in total)
• Functional Keywords: brd4 bd1, bromodomain, nmp, protein binding
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 15476.75

Authors

Ilyichova, O.V.,Scanlon, M.J.,Thompson, P.E. (deposition date: 2020-02-15, release date: 2020-02-26, 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.; Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.; Eur.J.Med.Chem., 191:112120-112120, 2020; PubMed: 32120339; DOI: 10.1016/j.ejmech.2020.112120

Experimental method

X-RAY DIFFRACTION (1.48 Å)