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TitleSquaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 2985-2992, Year 2018
Publish dateMar 26, 2018 (structure data deposition date)
AuthorsFournier, J.F. / Bhurruth-Alcor, Y. / Musicki, B. / Aubert, J. / Aurelly, M. / Bouix-Peter, C. / Bouquet, K. / Chantalat, L. / Delorme, M. / Drean, B. ...Fournier, J.F. / Bhurruth-Alcor, Y. / Musicki, B. / Aubert, J. / Aurelly, M. / Bouix-Peter, C. / Bouquet, K. / Chantalat, L. / Delorme, M. / Drean, B. / Duvert, G. / Fleury-Bregeot, N. / Gauthier, B. / Grisendi, K. / Harris, C.S. / Hennequin, L.F. / Isabet, T. / Joly, F. / Lafitte, G. / Millois, C. / Morgentin, R. / Pascau, J. / Piwnica, D. / Rival, Y. / Soulet, C. / Thoreau, E. / Tomas, L.
External linksBioorg. Med. Chem. Lett. / PubMed:30122227
MethodsX-ray diffraction
Resolution2.27 Å
Structure data

PDB-6g3o:
Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-EL8:
(6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / HDAC inhibitors / Squaramide / HISTONE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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