6WJY

HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A

Summary for 6WJY

• Entry DOI: 10.2210/pdb6wjy/pdb
• Descriptor: Indoleamine 2,3-dioxygenase 1, 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide (3 entities in total)
• Functional Keywords: indoleamine dioxygenase, heme, inhibitor, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 89483.90

Authors

Lesburg, C.A.,Lammens, A.,Neumann, L. (deposition date: 2020-04-14, release date: 2020-08-26, Last modification date: 2024-04-03)

• Primary citation: 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.; Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.; Acs Med.Chem.Lett., 11:1548-1554, 2020; PubMed: 32832022; DOI: 10.1021/acsmedchemlett.0c00195

Experimental method

X-RAY DIFFRACTION (1.91 Å)