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Literature summary for 1.1.1.86 extracted from

  • Bayaraa, T.; Kurz, J.L.; Patel, K.M.; Hussein, W.M.; Bilyj, J.K.; West, N.P.; Schenk, G.; McGeary, R.P.; Guddat, L.W.
    Discovery, synthesis and evaluation of a ketol-acid reductoisomerase inhibitor (2020), Chemistry, 26, 8958-8968 .
    View publication on PubMed
Search for more literature for 1.1.1.86

Crystallization (Commentary)

Crystallization (Comment) Organism
-
 Mycobacterium tuberculosis
hanging drop method, cocrystallization of 3-((methylsulfonyl)methyl)-2H-benzo[b][1,4]oxazin-2-one in complex with the enzyme Staphylococcus aureus

Inhibitors

Inhibitors Comment Organism Structure
MMV553002 i.e. 3-((methylsulfonyl)methyl)-2H-benzo[b][1,4]oxazin-2-one Mycobacterium tuberculosis
MMV553002 i.e. 3-((methylsulfonyl)methyl)-2H-benzo[b][1,4]oxazin-2-one Staphylococcus aureus
MMV688271
-
 Mycobacterium tuberculosis
MMV688271
-
 Staphylococcus aureus

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WKJ7
-
-
Staphylococcus aureus Q2FWK4
-
-
Staphylococcus aureus NCTC 8325 Q2FWK4
-
-

Synonyms

Synonyms Comment Organism
KARI
-
 Mycobacterium tuberculosis
KARI
-
 Staphylococcus aureus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000222
-
 MMV688271 pH 8.0, temperature not specified in the publication Staphylococcus aureus
0.0000384
-
 MMV688271 pH 8.0, temperature not specified in the publication Mycobacterium tuberculosis
0.000153
-
 MMV553002 pH 8.0, temperature not specified in the publication Mycobacterium tuberculosis
0.000531
-
 MMV553002 pH 8.0, temperature not specified in the publication Staphylococcus aureus

General Information

General Information Comment Organism
drug target potential drug target for bacterial infections including Mycobacterium tuberculosis Mycobacterium tuberculosis
drug target potential drug target for bacterial infections including Mycobacterium tuberculosis Staphylococcus aureus
metabolism second enzyme in the branched-chain amino acid biosynthesis pathway Mycobacterium tuberculosis
metabolism second enzyme in the branched-chain amino acid biosynthesis pathway Staphylococcus aureus