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TitleDesign, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Journal, issue, pagesActa Pharmacol. Sin., Vol. 43, Page 2735-2748, Year 2022
Publish dateAug 6, 2021 (structure data deposition date)
AuthorsZhang, M.F. / Luo, X.Y. / Zhang, C. / Wang, C. / Wu, X.S. / Xiang, Q.P. / Xu, Y. / Zhang, Y.
External linksActa Pharmacol. Sin. / PubMed:35264812
MethodsX-ray diffraction
Resolution1.82 - 2.24 Å
Structure data

PDB-7v1u:
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-7v2j:
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

Chemicals

ChemComp-5E3:
~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-5FZ:
~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / BRD4(1) / Bromodomain

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