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Literature summary for 1.1.98.3 extracted from

  • Makarov, V.; Neres, J.; Hartkoorn, R.C.; Ryabova, O.B.; Kazakova, E.; Sarkan, M.; Huszar, S.; Piton, J.; Kolly, G.S.; Vocat, A.; Conroy, T.M.; Mikusova, K.; Cole, S.T.
    The 8-pyrrole-benzothiazinones are noncovalent inhibitors of DprE1 from Mycobacterium tuberculosis (2015), Antimicrob. Agents Chemother., 59, 4446-4452.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.1.98.3

Inhibitors

Inhibitors Comment Organism Structure
2-(4-butylpiperazin-1-yl)-8-(1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one PyrBTZ03 Mycobacterium tuberculosis
2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4,5]dec-8-yl]-8-(1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one PyrBTZ01 Mycobacterium tuberculosis
2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4,5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one BTZ043 Mycobacterium tuberculosis
2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-(1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one PyrBTZ02 Mycobacterium tuberculosis
2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-(2,5-dimethyl-1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one PyrBTZ04 Mycobacterium tuberculosis
2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one PBTZ169 Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
trans,octacis-decaprenylphospho-beta-D-ribofuranose + FAD Mycobacterium tuberculosis
-
 trans,octacis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose + FADH2
-
 ?
trans,octacis-decaprenylphospho-beta-D-ribofuranose + FAD Mycobacterium tuberculosis H37Rv
-
 trans,octacis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose + FADH2
-
 ?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WJF1
-
-
Mycobacterium tuberculosis H37Rv P9WJF1
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
trans,octacis-decaprenylphospho-beta-D-ribofuranose + FAD
-
 Mycobacterium tuberculosis trans,octacis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose + FADH2
-
 ?
trans,octacis-decaprenylphospho-beta-D-ribofuranose + FAD
-
 Mycobacterium tuberculosis H37Rv trans,octacis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose + FADH2
-
 ?

Synonyms

Synonyms Comment Organism
decaprenylphosphoryl-beta-D-ribose 2'-oxidase
-
 Mycobacterium tuberculosis
DprE1
-
 Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
FAD
-
 Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00000425
-
 at pH 7.5 and 30°C Mycobacterium tuberculosis 2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4,5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
0.00161
-
 at pH 7.5 and 30°C Mycobacterium tuberculosis 2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4,5]dec-8-yl]-8-(1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
0.00734
-
 at pH 7.5 and 30°C Mycobacterium tuberculosis 2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-(1H-pyrrol-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one