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TitleThe design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.
Journal, issue, pagesMedchemcomm, Vol. 4, Page 140-144, Year 2013
Publish dateAug 21, 2012 (structure data deposition date)
AuthorsHay, D. / Fedorov, O. / Filippakopoulos, P. / Martin, S. / Philpott, M. / Picaud, S. / Hewings, D.S. / Uttakar, S. / Heightman, T.D. / Conway, S.J. ...Hay, D. / Fedorov, O. / Filippakopoulos, P. / Martin, S. / Philpott, M. / Picaud, S. / Hewings, D.S. / Uttakar, S. / Heightman, T.D. / Conway, S.J. / Knapp, S. / Brennan, P.E.
External linksMedchemcomm / PubMed:26682033
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-4gpj:
Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-0Q1:
(1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING/INHIBITOR / BROMODOMAIN / CAP / HUNK1 / MCAP / MITOTIC CHROMOSOME ASSOCIATED PROTEIN / STRUCTURAL GENOMICS CONSORTIUM / SGC / CELL CYCLE / PROTEIN BINDING-INHIBITOR COMPLEX

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