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TitleDiscovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 6705-6733, Year 2019
Publish dateFeb 26, 2019 (structure data deposition date)
AuthorsKumar, S. / Waldo, J.P. / Jaipuri, F.A. / Marcinowicz, A. / Van Allen, C. / Adams, J. / Kesharwani, T. / Zhang, X. / Metz, R. / Oh, A.J. ...Kumar, S. / Waldo, J.P. / Jaipuri, F.A. / Marcinowicz, A. / Van Allen, C. / Adams, J. / Kesharwani, T. / Zhang, X. / Metz, R. / Oh, A.J. / Harris, S.F. / Mautino, M.R.
External linksJ. Med. Chem. / PubMed:31264862
MethodsX-ray diffraction
Resolution2.69 Å
Structure data

PDB-6o3i:
Crystal Structure of Human IDO1 bound to navoximod (NLG-919)
Method: X-RAY DIFFRACTION / Resolution: 2.69 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-LKP:
trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/INHIBITOR / Dioxygenase / tryptophan / IDO / TDO / OXIDOREDUCTASE-INHIBITOR complex

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