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Structure paper

TitleGNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of CBP/P300
Journal, issue, pagesTo be published
Publish dateMay 29, 2017 (structure data deposition date)
AuthorsMurray, J.M.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.707 Å
Structure data

PDB-5vzs:
BRD4-BD1 in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
Method: X-RAY DIFFRACTION / Resolution: 1.707 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-9U4:
3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION REGULATOR/INHIBITOR / BRD4 / Bromodomain / small molecule inhibitor / TRANSCRIPTION REGULATOR-INHIBITOR complex

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