6X5Y

IDO1 in complex with compound 4

Summary for 6X5Y

• Entry DOI: 10.2210/pdb6x5y/pdb
• Descriptor: Indoleamine 2,3-dioxygenase 1, 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide (3 entities in total)
• Functional Keywords: indoleamine dioxygenase, ido1, inhibitor complex, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 89517.11

Authors

Lesburg, C.A.,Lammens, A. (deposition date: 2020-05-27, release date: 2021-06-02, Last modification date: 2024-04-03)

• Primary citation: 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.; Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.65 Å)