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TitleTargeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2-Hydroxypyrazolo[1,5- a ]pyridine Scaffold: SAR of the Aryloxyaryl Moiety.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 12701-12724, Year 2022
Publish dateMar 11, 2022 (structure data deposition date)
AuthorsSainas, S. / Giorgis, M. / Circosta, P. / Poli, G. / Alberti, M. / Passoni, A. / Gaidano, V. / Pippione, A.C. / Vitale, N. / Bonanni, D. ...Sainas, S. / Giorgis, M. / Circosta, P. / Poli, G. / Alberti, M. / Passoni, A. / Gaidano, V. / Pippione, A.C. / Vitale, N. / Bonanni, D. / Rolando, B. / Cignetti, A. / Ramondetti, C. / Lanno, A. / Ferraris, D.M. / Canepa, B. / Buccinna, B. / Piccinini, M. / Rizzi, M. / Saglio, G. / Al-Karadaghi, S. / Boschi, D. / Miggiano, R. / Tuccinardi, T. / Lolli, M.L.
External linksJ. Med. Chem. / PubMed:36162075
MethodsX-ray diffraction
Resolution1.85 Å
Structure data

PDB-7z6c:
Crystal structure of human Dihydroorotate Dehydrogenase in complex with the inhibitor 2-Hydroxy-N-(2-ispropyl-5-methyl-4-phenoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-IEQ:
~{N}-(5-methyl-4-phenoxy-2-propan-2-yl-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Dihydroorotate Dehydrogenase / inhibitor / complex / acute myeloid leukaemia.

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