7E0U

Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-N-(((1S,2S)-2-chlorocyclohexyl)methyl)-1H-indazol-4-amine (39)

Summary for 7E0U

• Entry DOI: 10.2210/pdb7e0u/pdb
• Descriptor: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine, ... (4 entities in total)
• Functional Keywords: indoleamine 2, 3-dioxygenase 1, oxidoreductase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 90171.72

Authors

Li, G.-B.,Ning, X.-L. (deposition date: 2021-01-28, release date: 2021-07-21, Last modification date: 2023-11-29)

• Primary citation: Ning, X.L.,Li, Y.Z.,Huo, C.,Deng, J.,Gao, C.,Zhu, K.R.,Wang, M.,Wu, Y.X.,Yu, J.L.,Ren, Y.L.,Luo, Z.Y.,Li, G.,Chen, Y.,Wang, S.Y.,Peng, C.,Yang, L.L.,Wang, Z.Y.,Wu, Y.,Qian, S.,Li, G.B.; X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.; J.Med.Chem., 64:8303-8332, 2021; PubMed: 34110158; DOI: 10.1021/acs.jmedchem.1c00303

Experimental method

X-RAY DIFFRACTION (2.278 Å)