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TitleUtilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors
Journal, issue, pagesTo Be Published
Publish dateMay 27, 2020 (structure data deposition date)
AuthorsHopkins, B. / Zhang, H. / Bharathan, I. / Li, D. / Pu, Q. / Zhou, H. / Martinot, T. / Fradera, X. / Lammens, A. / Lesburg, C.A. ...Hopkins, B. / Zhang, H. / Bharathan, I. / Li, D. / Pu, Q. / Zhou, H. / Martinot, T. / Fradera, X. / Lammens, A. / Lesburg, C.A. / Ballard, J. / Knemeyer, I. / Otte, K. / Solban, N. / Vincent, S. / Miller, J.R. / Cheng, M. / Geda, P. / Smotrov, N. / Song, X. / Spacciapoli, P. / Bennett, D.J. / Han, Y.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.65 Å
Structure data

PDB-6x5y:
IDO1 in complex with compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-URJ:
4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE inhibitor / INDOLEAMINE DIOXYGENASE / IDO1 / INHIBITOR COMPLEX / OXIDOREDUCTASE / OXIDOREDUCTASE-OXIDOREDUCTASE inhibitor complex

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