9FON

Cocrystal structure of Drosophila melangaster TDO with Compound 128

This is a non-PDB format compatible entry.

Summary for 9FON

• Entry DOI: 10.2210/pdb9fon/pdb
• Descriptor: Tryptophan 2,3-dioxygenase, PROTOPORPHYRIN IX CONTAINING FE, (~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol, ... (4 entities in total)
• Functional Keywords: inhibitor, heme, oxidoreductase
• Biological source: Drosophila melanogaster (fruit fly)
• Total number of polymer chains: 2
• Total formula weight: 88493.81

Authors

Wicki, M.,Mac Sweeney, A. (deposition date: 2024-06-12, release date: 2025-04-23)

• 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 (2.121 Å)