7RRC
IDO1 IN COMPLEX WITH COMPOUND 14
Summary for 7RRC
Entry DOI | 10.2210/pdb7rrc/pdb |
Descriptor | Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide (3 entities in total) |
Functional Keywords | indoleamine dioxygenase, heme, inhibitor, oxidoreductase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 89602.99 |
Authors | Lesburg, C.A. (deposition date: 2021-08-09, release date: 2022-03-16, Last modification date: 2022-05-11) |
Primary citation | Li, D.,Sloman, D.L.,Achab, A.,Zhou, H.,McGowan, M.A.,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.,Zhang, H.,Song, L.,Wan, B.,DAddio, S.,Solban, N.,Miller, J.R.,Zamlynny, B.,Bass, A.,Freeland, E.,Ykoruk, B.,Hilliard, C.,Ferraro, J.,Zhai, J.,Knemeyer, I.,Otte, K.M.,Vincent, S.,Sciammetta, N.,Pasternak, A.,Bennett, D.J.,Han, Y. Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65:6001-6016, 2022 Cited by PubMed: 35239336DOI: 10.1021/acs.jmedchem.1c01670 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.18 Å) |
Structure validation
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