9FOZ

Cocrystal structure of Drosophila melangaster TDO with Compound 128

This is a non-PDB format compatible entry.

Summary for 9FOZ

• Entry DOI: 10.2210/pdb9foz/pdb
• Descriptor: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, (R)-[1-[2,5-bis(fluoranyl)-4-methoxy-phenyl]-1,2,3-triazol-4-yl]-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)methanol, ... (5 entities in total)
• Functional Keywords: inhibitor, heme, oxidoreductase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 96434.32

Authors

Wicki, M.,Mac Sweeney, A. (deposition date: 2024-06-12, release date: 2025-04-02)

• Primary citation: Cren, S.,Kimmerlin, T.,Pothier, J.,Boss, C.,Lotz-Jenne, C.,Mac Sweeney, A.,Pouzol, L.,Chavanton-Arpel, A.; Structure-Activity Relationship, cellular potency optimization of novel heme-binding Imidazo[5,1-b]thiazoles, imidazo[1,5-a]pyridines and pyrazines as potent IDO inhibitors devoid of Cyp inhibition; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.694 Å)