7M63

Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099

Summary for 7M63

• Entry DOI: 10.2210/pdb7m63/pdb
• Descriptor: Indoleamine 2,3-dioxygenase 1, (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide (2 entities in total)
• Functional Keywords: ido1, inhibitor, enzyme, complex, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 93422.24

Authors

Leonard, P.G.,Cross, J.B. (deposition date: 2021-03-25, release date: 2021-09-01, Last modification date: 2023-10-18)

• Primary citation: Hamilton, M.M.,Mseeh, F.,McAfoos, T.J.,Leonard, P.G.,Reyna, N.J.,Harris, A.L.,Xu, A.,Han, M.,Soth, M.J.,Czako, B.,Theroff, J.P.,Mandal, P.K.,Burke, J.P.,Virgin-Downey, B.,Petrocchi, A.,Pfaffinger, D.,Rogers, N.E.,Parker, C.A.,Yu, S.S.,Jiang, Y.,Krapp, S.,Lammens, A.,Trevitt, G.,Tremblay, M.R.,Mikule, K.,Wilcoxen, K.,Cross, J.B.,Jones, P.,Marszalek, J.R.,Lewis, R.T.; Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.; J.Med.Chem., 64:11302-11329, 2021; PubMed: 34292726; DOI: 10.1021/acs.jmedchem.1c00679

Experimental method

X-RAY DIFFRACTION (3.1 Å)