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Title4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 14620-14646, Year 2021
Publish dateNov 10, 2020 (structure data deposition date)
AuthorsSchaker-Hubner, L. / Warstat, R. / Ahlert, H. / Mishra, P. / Kraft, F.B. / Schliehe-Diecks, J. / Scholer, A. / Borkhardt, A. / Breit, B. / Bhatia, S. ...Schaker-Hubner, L. / Warstat, R. / Ahlert, H. / Mishra, P. / Kraft, F.B. / Schliehe-Diecks, J. / Scholer, A. / Borkhardt, A. / Breit, B. / Bhatia, S. / Hugle, M. / Gunther, S. / Hansen, F.K.
External linksJ. Med. Chem. / PubMed:34582215
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-7axr:
Crystal structure of BRD4(1) bound to the dual BET-HDAC inhibitor LSH24
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-S7T:
4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / BRD4(1) / BRD4 / BD1 / first Bromodomain / Bromodomain / BET / HDAC / BETi / HDACi / dual Inhibitor / LSH24

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