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TitleDiscovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 11254-11272, Year 2024
Publish dateApr 29, 2024 (structure data deposition date)
AuthorsDeRatt, L.G. / Zhang, Z. / Pietsch, C. / Cisar, J.S. / Zhang, X. / Wang, W. / Tanner, A. / Matico, R. / Shaffer, P. / Jacoby, E. ...DeRatt, L.G. / Zhang, Z. / Pietsch, C. / Cisar, J.S. / Zhang, X. / Wang, W. / Tanner, A. / Matico, R. / Shaffer, P. / Jacoby, E. / Kazmi, F. / Shukla, N. / Bush, T.L. / Patrick, A. / Philippar, U. / Attar, R. / Edwards, J.P. / Kuduk, S.D.
External linksJ. Med. Chem. / PubMed:38889244
MethodsX-ray diffraction
Resolution1.3 - 2.08 Å
Structure data

PDB-9bkm:
DHODH in complex with Ligand 10
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-9bkn:
DHODH in complex with Ligand 16
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-9bko:
DHODH in complex with Ligand 26
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

PDB-1aqm:
ALPHA-AMYLASE FROM ALTEROMONAS HALOPLANCTIS COMPLEXED WITH TRIS

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

PDB-1aqk:
THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID

ChemComp-CL:
Unknown entry

PDB-1aql:
CRYSTAL STRUCTURE OF BOVINE BILE-SALT ACTIVATED LIPASE COMPLEXED WITH TAUROCHOLATE

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Dihydroorotate dehydrogenase / DHODH / oxidoreductase / inhibitor / oxidoreductase-inhibitor complex / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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