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TitleDiscovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 1548-1554, Year 2020
Publish dateApr 14, 2020 (structure data deposition date)
AuthorsPu, Q. / Zhang, H. / Guo, L. / Cheng, M. / Doty, A.C. / Ferguson, H. / Fradera, X. / Lesburg, C.A. / McGowan, M.A. / Miller, J.R. ...Pu, Q. / Zhang, H. / Guo, L. / Cheng, M. / Doty, A.C. / Ferguson, H. / Fradera, X. / Lesburg, C.A. / McGowan, M.A. / Miller, J.R. / Geda, P. / Song, X. / Otte, K. / Sciammetta, N. / Solban, N. / Yu, W. / Sloman, D.L. / Zhou, H. / Lammens, A. / Neumann, L. / Bennett, D.J. / Pasternak, A. / Han, Y.
External linksAcs Med. Chem. Lett. / PubMed:32832022
MethodsX-ray diffraction
Resolution1.91 Å
Structure data

PDB-6wjy:
HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

Chemicals

ChemComp-U41:
3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide

ChemComp-HOH:
WATER

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

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