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; PubMed: 35239336; DOI: 10.1021/acs.jmedchem.1c01670

Experimental method

X-RAY DIFFRACTION (2.18 Å)