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TitleA carboxylic acid isostere screen of the DHODH inhibitor Brequinar.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127589-127589, Year 2020
Publish dateSep 9, 2020 (structure data deposition date)
AuthorsDeRatt, L.G. / Christine Pietsch, E. / Tanner, A. / Shaffer, P. / Jacoby, E. / Wang, W. / Kazmi, F. / Zhang, X. / Attar, R.M. / Edwards, J.P. / Kuduk, S.D.
External linksBioorg. Med. Chem. Lett. / PubMed:33007394
MethodsX-ray diffraction
Resolution1.73 Å
Structure data

PDB-7k2u:
DHODH IN COMPLEX WITH LIGAND 13
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-VU7:
6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide

ChemComp-ACT:
ACETATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / DIHYDROOROTATE DEHYDROGENASE / DHODH / INHIBITOR

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