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TitleIdentification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 1330-1339, Year 2016
Publish dateJan 15, 2016 (structure data deposition date)
AuthorsAlbrecht, B.K. / Gehling, V.S. / Hewitt, M.C. / Vaswani, R.G. / Cote, A. / Leblanc, Y. / Nasveschuk, C.G. / Bellon, S. / Bergeron, L. / Campbell, R. ...Albrecht, B.K. / Gehling, V.S. / Hewitt, M.C. / Vaswani, R.G. / Cote, A. / Leblanc, Y. / Nasveschuk, C.G. / Bellon, S. / Bergeron, L. / Campbell, R. / Cantone, N. / Cooper, M.R. / Cummings, R.T. / Jayaram, H. / Joshi, S. / Mertz, J.A. / Neiss, A. / Normant, E. / O'Meara, M. / Pardo, E. / Poy, F. / Sandy, P. / Supko, J. / Sims, R.J. / Harmange, J.C. / Taylor, A.M. / Audia, J.E.
External linksJ. Med. Chem. / PubMed:26815195
MethodsX-ray diffraction
Resolution1.395 - 2.182 Å
Structure data

PDB-5hls:
Crystal structure of the first bromodomain of human BRD4 bound to CPI-0610
Method: X-RAY DIFFRACTION / Resolution: 2.182 Å

PDB-5hm0:
Crystal structure of the first bromodomain of human BRD4 bound to benzoisoxazoloazepine 3
Method: X-RAY DIFFRACTION / Resolution: 1.395 Å

Chemicals

ChemComp-62G:
CPI-0610 / inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-62V:
6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / bromodomain

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