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Literature summary for 2.1.1.148 extracted from

  • Modranka, J.; Li, J.; Parchina, A.; Vanmeert, M.; Dumbre, S.; Salman, M.; Myllykallio, H.; Becker, H.F.; Vanhoutte, R.; Margamuljana, L.; Nguyen, H.; Abu El-Asrar, R.; Rozenski, J.; Herdewijn, P.; De Jonghe, S.; Lescrinier, E.
    Synthesis and structure-activity relationship studies of benzo[b][1,4]oxazin-3(4H)-one analogues as inhibitors of mycobacterial thymidylate synthase X (2019), ChemMedChem, 14, 645-662 .
    View publication on PubMed
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Crystallization (Commentary)

Crystallization (Comment) Organism
molecular docking of inhibitors Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
4-(3-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)propanoyl)-N-phenylpiperazine-1-carboxamide
-
 Mycobacterium tuberculosis
4-[3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoyl]-N-phenylpiperazine-1-carboxamide
-
 Mycobacterium tuberculosis
N-methyl-2-[4-[3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-yl]-N-phenylacetamide
-
 Mycobacterium tuberculosis
N-[1-[3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoyl]piperidin-4-yl]-N'-phenylurea
-
 Mycobacterium tuberculosis

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WG57
-
-
Mycobacterium tuberculosis H37Rv P9WG57
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00069
-
 pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis N-methyl-2-[4-[3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-yl]-N-phenylacetamide
0.00088
-
 pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis N-[1-[3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoyl]piperidin-4-yl]-N'-phenylurea
0.00172
-
 pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis 4-(3-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)propanoyl)-N-phenylpiperazine-1-carboxamide
93
-
 pH 7.5, temperature not specified in the publication Mycobacterium tuberculosis 4-[3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoyl]-N-phenylpiperazine-1-carboxamide