8OTM

structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide

Summary for 8OTM

• Entry DOI: 10.2210/pdb8otm/pdb
• Related: 8OTN
• Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ... (7 entities in total)
• Functional Keywords: enoyl-acp-reductase type ii fatty acid synthase mycolic acids tuberculosis therapeutic target, oxidoreductase
• Biological source: Mycobacterium tuberculosis
• Total number of polymer chains: 4
• Total formula weight: 119683.39

Authors

Chebaiki, M.,Maveyraud, L.,Tamhaev, R.,Lherbet, C.,Mourey, L. (deposition date: 2023-04-21, release date: 2023-08-16)

• Primary citation: Chebaiki, M.,Delfourne, E.,Tamhaev, R.,Danoun, S.,Rodriguez, F.,Hoffmann, P.,Grosjean, E.,Goncalves, F.,Azema-Despeyroux, J.,Pal, A.,Kordulakova, J.,Preuilh, N.,Britton, S.,Constant, P.,Marrakchi, H.,Maveyraud, L.,Mourey, L.,Lherbet, C.; Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.; Eur.J.Med.Chem., 259:115646-115646, 2023; PubMed: 37482022; DOI: 10.1016/j.ejmech.2023.115646

Experimental method

X-RAY DIFFRACTION (1.6 Å)