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TitleBiaryl analogues of teriflunomide as potent DHODH inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 7268-7272, Year 2011
Publish dateOct 4, 2011 (structure data deposition date)
AuthorsErra, M. / Moreno, I. / Sanahuja, J. / Andres, M. / Reinoso, R.F. / Lozoya, E. / Pizcueta, P. / Godessart, N. / Castro-Palomino, J.C.
External linksBioorg. Med. Chem. Lett. / PubMed:22078215
MethodsX-ray diffraction
Resolution2.18 Å
Structure data

PDB-3u2o:
Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-03U:
methyl 4-{[(2Z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate

ChemComp-ACT:
ACETATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / DHODH / DEHYDROGENASE / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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