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TitleDesign and Synthesis of a Highly Selective andIn Vivo-Capable Inhibitor of the Second Bromodomain of the Bromodomain and Extra Terminal Domain Family of Proteins.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 9070-9092, Year 2020
Publish dateMay 30, 2020 (structure data deposition date)
AuthorsPreston, A. / Atkinson, S. / Bamborough, P. / Chung, C.W. / Craggs, P.D. / Gordon, L. / Grandi, P. / Gray, J.R.J. / Jones, E.J. / Lindon, M. ...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.
External linksJ. Med. Chem. / PubMed:32691591
MethodsX-ray diffraction
Resolution1.59 - 1.605 Å
Structure data

PDB-6z7f:
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
Method: X-RAY DIFFRACTION / Resolution: 1.605 Å

PDB-6z7g:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

Chemicals

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-QB5:
N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / INHIBITOR / HISTONE / EPIGENETIC READER / BROMODOMAIN / BRD2 / BROMODOMAIN CONTAINING PROTEIN 2 / ANTAGONIST / BRD4 / BROMODOMAIN CONTAINING PROTEIN 4

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