6TQ1

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one

This is a non-PDB format compatible entry.

Summary for 6TQ1

• Entry DOI: 10.2210/pdb6tq1/pdb
• Descriptor: Bromodomain-containing protein 2, SULFATE ION, 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one, ... (5 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: 3
• Total formula weight: 55239.91

Authors

Chung, C. (deposition date: 2019-12-15, release date: 2020-01-15, Last modification date: 2020-02-05)

• Primary citation: Wellaway, C.R.,Amans, D.,Bamborough, P.,Barnett, H.,Bit, R.A.,Brown, J.A.,Carlson, N.R.,Chung, C.W.,Cooper, A.W.J.,Craggs, P.D.,Davis, R.P.,Dean, T.W.,Evans, J.P.,Gordon, L.,Harada, I.L.,Hirst, D.J.,Humphreys, P.G.,Jones, K.L.,Lewis, A.J.,Lindon, M.J.,Lugo, D.,Mahmood, M.,McCleary, S.,Medeiros, P.,Mitchell, D.J.,O'Sullivan, M.,Le Gall, A.,Patel, V.K.,Patten, C.,Poole, D.L.,Shah, R.R.,Smith, J.E.,Stafford, K.A.J.,Thomas, P.J.,Vimal, M.,Wall, I.D.,Watson, R.J.,Wellaway, N.,Yao, G.,Prinjha, R.K.; Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.; J.Med.Chem., 63:714-746, 2020; PubMed: 31904959; DOI: 10.1021/acs.jmedchem.9b01670

Experimental method

X-RAY DIFFRACTION (1.9 Å)