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TitleDesign of new disubstituted imidazo[1,2- b ]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation.
Journal, issue, pagesJ Enzyme Inhib Med Chem, Vol. 35, Page 1840-1853, Year 2020
Publish dateNov 5, 2020 (structure data deposition date)
AuthorsElie, J. / Feizbakhsh, O. / Desban, N. / Josselin, B. / Baratte, B. / Bescond, A. / Duez, J. / Fant, X. / Bach, S. / Marie, D. ...Elie, J. / Feizbakhsh, O. / Desban, N. / Josselin, B. / Baratte, B. / Bescond, A. / Duez, J. / Fant, X. / Bach, S. / Marie, D. / Place, M. / Ben Salah, S. / Chartier, A. / Berteina-Raboin, S. / Chaikuad, A. / Knapp, S. / Carles, F. / Bonnet, P. / Buron, F. / Routier, S. / Ruchaud, S.
External linksJ Enzyme Inhib Med Chem / PubMed:33040634
MethodsX-ray diffraction
Resolution1.65 Å
Structure data

PDB-7avq:
Crystal structure of haspin in complex with disubstituted imidazo[1,2- b]pyridazine inhibitor (compound 12)
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-S1Z:
(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

ChemComp-NA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / haspin / GSG2 / inhibitor / Structural Genomics / Structural Genomics Consortium / SGC

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