7QDL

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with I-BET567

This is a non-PDB format compatible entry.

Summary for 7QDL

• Entry DOI: 10.2210/pdb7qdl/pdb
• Descriptor: Bromodomain-containing protein 4, (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: inhibitor, histone, epigenetic reader, bromodomain, brd4, bromodomain containing protein 4, antagonist, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 15645.39

Authors

Chung, C. (deposition date: 2021-11-27, release date: 2022-12-14, Last modification date: 2023-12-27)

• Primary citation: Humphreys, P.G.,Atkinson, S.J.,Bamborough, P.,Bit, R.A.,Chung, C.W.,Craggs, P.D.,Cutler, L.,Davis, R.,Ferrie, A.,Gong, G.,Gordon, L.J.,Gray, M.,Harrison, L.A.,Hayhow, T.G.,Haynes, A.,Henley, N.,Hirst, D.J.,Holyer, I.D.,Lindon, M.J.,Lovatt, C.,Lugo, D.,McCleary, S.,Molnar, J.,Osmani, Q.,Patten, C.,Preston, A.,Rioja, I.,Seal, J.T.,Smithers, N.,Sun, F.,Tang, D.,Taylor, S.,Theodoulou, N.H.,Thomas, C.,Watson, R.J.,Wellaway, C.R.,Zhu, L.,Tomkinson, N.C.O.,Prinjha, R.K.; Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate.; J.Med.Chem., 65:2262-2287, 2022; PubMed: 34995458; DOI: 10.1021/acs.jmedchem.1c01747

Experimental method

X-RAY DIFFRACTION (1.67 Å)