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TitleOxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing
Journal, issue, pagesTo Be Published
Publish dateAug 9, 2021 (structure data deposition date)
AuthorsLi, D. / Sloman, D. / Achab, A. / Zhou, H. / McGowan, M. / White, C. / Gibeau, C. / Zhang, H. / Pu, Q. / Bharathan, I. ...Li, D. / Sloman, D. / Achab, A. / Zhou, H. / McGowan, M. / White, C. / Gibeau, C. / Zhang, H. / Pu, Q. / Bharathan, I. / Hopkins, B. / Liu, K. / Ferguson, H. / Fradera, X. / Lesburg, C.A. / Martinot, T.A. / Qi, J. / Song, Z.J. / Yin, J. / Song, L. / Wan, B. / D'Addio, S. / Solban, N. / Miller, R. / Zamlynny, B. / Bass, A. / Freeland, E. / Ykoruk, B. / Hilliard, C. / Ferraro, J. / Zhai, J. / Knemayer, I. / Otte, K. / Vincent, S. / Sciammetta, N. / Pasternak, A. / Bennett, D.J. / Han, Y.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.76 Å
Structure data

PDB-7rrd:
IDO1 IN COMPLEX WITH COMPOUND S-1
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

Chemicals

ChemComp-6IZ:
3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / INDOLEAMINE DIOXYGENASE / HEME / INHIBITOR

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