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TitleS55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Journal, issue, pagesOncotarget, Vol. 9, Page 20075-20088, Year 2018
Publish dateMay 23, 2018 (structure data deposition date)
AuthorsCasara, P. / Davidson, J. / Claperon, A. / Le Toumelin-Braizat, G. / Vogler, M. / Bruno, A. / Chanrion, M. / Lysiak-Auvity, G. / Le Diguarher, T. / Starck, J.B. ...Casara, P. / Davidson, J. / Claperon, A. / Le Toumelin-Braizat, G. / Vogler, M. / Bruno, A. / Chanrion, M. / Lysiak-Auvity, G. / Le Diguarher, T. / Starck, J.B. / Chen, I. / Whitehead, N. / Graham, C. / Matassova, N. / Dokurno, P. / Pedder, C. / Wang, Y. / Qiu, S. / Girard, A.M. / Schneider, E. / Grave, F. / Studeny, A. / Guasconi, G. / Rocchetti, F. / Maiga, S. / Henlin, J.M. / Colland, F. / Kraus-Berthier, L. / Le Gouill, S. / Dyer, M.J.S. / Hubbard, R. / Wood, M. / Amiot, M. / Cohen, G.M. / Hickman, J.A. / Morris, E. / Murray, J. / Geneste, O.
External linksOncotarget / PubMed:29732004
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-6gl8:
Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-F3Q:
~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS / APOPTOSIS-INHIBITOR COMPLEX / BCL-2 / BH3-mimetics

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