6Z7G

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide

This is a non-PDB format compatible entry.

Summary for 6Z7G

• Entry DOI: 10.2210/pdb6z7g/pdb
• Descriptor: Bromodomain-containing protein 4, N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide (3 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: 15477.80

Authors

Chung, C. (deposition date: 2020-05-30, release date: 2020-07-29, Last modification date: 2024-05-15)

Primary citation

Preston, A.,Atkinson, S.,Bamborough, P.,Chung, C.W.,Craggs, P.D.,Gordon, L.,Grandi, P.,Gray, J.R.J.,Jones, E.J.,Lindon, M.,Michon, A.M.,Mitchell, D.J.,Prinjha, R.K.,Rianjongdee, F.,Rioja, I.,Seal, J.,Taylor, S.,Wall, I.,Watson, R.J.,Woolven, J.,Demont, E.H.
Design and Synthesis of a Highly Selective andIn Vivo-Capable Inhibitor of the Second Bromodomain of the Bromodomain and Extra Terminal Domain Family of Proteins.
J.Med.Chem., 63:9070-9092, 2020

PubMed Abstract: Pan-bromodomain and extra terminal domain (BET) inhibitors interact equipotently with the eight bromodomains of the BET family of proteins and have shown profound efficacy in a number of phenotypic assays and pre-clinical models in inflammation or oncology. A number of these inhibitors have progressed to the clinic where pharmacology-driven adverse events have been reported. To better understand the contribution of each domain to their efficacy and improve their safety profile, selective inhibitors are required. This article discloses the profile of GSK046, also known as iBET-BD2, a highly selective inhibitor of the second bromodomains of the BET proteins that has undergone extensive pre-clinical and characterization.

PubMed: 32691591
DOI: 10.1021/acs.jmedchem.0c00605

Experimental method

X-RAY DIFFRACTION (1.59 Å)