5WHR

Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate.

Summary for 5WHR

Entry DOI	10.2210/pdb5whr/pdb
Descriptor	Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, ... (4 entities in total)
Functional Keywords	cancer immunotherapy, small molecule inhibitor, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm, cytosol : P14902
Total number of polymer chains	2
Total formula weight	90033.00
Authors	Greasley, S.E.,Kaiser, S.E.,Feng, J.L.,Stewart, A. (deposition date: 2017-07-18, release date: 2017-12-27)
Primary citation	Crosignani, S.,Bingham, P.,Bottemanne, P.,Cannelle, H.,Cauwenberghs, S.,Cordonnier, M.,Dalvie, D.,Deroose, F.,Feng, J.L.,Gomes, B.,Greasley, S.,Kaiser, S.E.,Kraus, M.,Negrerie, M.,Maegley, K.,Miller, N.,Murray, B.W.,Schneider, M.,Soloweij, J.,Stewart, A.E.,Tumang, J.,Torti, V.R.,Van Den Eynde, B.,Wythes, M. Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate. J. Med. Chem., 60:9617-9629, 2017 Cited by PubMed: 29111717 DOI: 10.1021/acs.jmedchem.7b00974 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.28 Å)

Structure validation