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Literature summary for 2.3.1.180 extracted from

  • Zhou, Y.; Yang, Y.S.; Song, X.D.; Lu, L.; Zhu, H.L.
    Study of Schiff-base-derived with dioxygenated rings and nitrogen heterocycle as potential beta-ketoacyl-acyl carrier protein synthase III (FabH) inhibitors (2017), Chem. Pharm. Bull., 65, 178-185 .
    View publication on PubMed

Cloned(Commentary)

Cloned (Comment) Organism
expressed in Escherichia coli strains DH10B (native enzyme) and BL21(DE3) (selenomethionine-substituted enzyme) Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
(E)-1-(6-chloropyridin-3-yl)-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)methylene)methanamine
-
Escherichia coli
(E)-1-(6-chloropyridin-3-yl)-N-((3,4-dihydro-2Hbenzo[b][1,4]dioxepin-7-yl)methylene)methanamine
-
Escherichia coli
(E)-4-chloro-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)methylene)pyridin-2-amine
-
Escherichia coli
(E)-5-chloro-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)methylene)pyridin-2-amine
-
Escherichia coli
(E)-6-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methyleneamino)nicotinonitrile
-
Escherichia coli
(E)-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methylene)-3-methylpyridin-2-amine
-
Escherichia coli
(E)-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methylene)-4-methylpyridin-2-amine
-
Escherichia coli
(E)-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methylene)-5-(trifluoromethyl)pyridin-2-amine
-
Escherichia coli
(E)-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methylene)pyridin-3-amine
-
Escherichia coli
(E)-tert-butyl 4-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)methyleneamino)piperidine-1-carboxylate
-
Escherichia coli
2,4-dibromo-6-[(E)-(2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene)methyl]phenol
-
Escherichia coli
2-(2-methyl-5-nitro-1H-imidazol-1-yl)-N'-[(E)-(3,4,5-trimethylphenyl)methylidene]acetohydrazide
-
Escherichia coli
2-(decane-1-sulfonyl)acetamide FAS20013 Escherichia coli
4,5-dichloro-3H-1,2-dithiol-3-one HR45 Escherichia coli
4-[(Z)-(cyclohexylimino)methyl]benzene-1,3-diol YKAs3003 Escherichia coli
6-[(2,6-dichlorophenyl)methoxy]-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid SB418011 Escherichia coli
FAS20013
-
Escherichia coli
HR45
-
Escherichia coli
SB418011
-
Escherichia coli
YKAs3003
-
Escherichia coli

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
acetyl-CoA + a malonyl-[acyl-carrier protein] Escherichia coli
-
an acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
?

Organism

Organism UniProt Comment Textmining
Escherichia coli P0A6R0
-
-

Purification (Commentary)

Purification (Comment) Organism
Q-Sepharose, MonoQ, and hydroxyapatite column chromatographies (native enzyme) or Ni-NTA agarose column chromatography (selenomethionine-substituted enzyme) Escherichia coli

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
acetyl-CoA + a malonyl-[acyl-carrier protein]
-
Escherichia coli an acetoacetyl-[acyl-carrier protein] + CoA + CO2
-
?

Synonyms

Synonyms Comment Organism
beta-ketoacyl-acyl carrier protein synthase III
-
Escherichia coli
FabH
-
Escherichia coli

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0021
-
at pH 7.0 and 37°C Escherichia coli (E)-tert-butyl 4-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)methyleneamino)piperidine-1-carboxylate
0.0038
-
at pH 7.0 and 37°C Escherichia coli (E)-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methylene)-5-(trifluoromethyl)pyridin-2-amine
0.0067
-
at pH 7.0 and 37°C Escherichia coli (E)-1-(6-chloropyridin-3-yl)-N-((3,4-dihydro-2Hbenzo[b][1,4]dioxepin-7-yl)methylene)methanamine
0.0074
-
at pH 7.0 and 37°C Escherichia coli (E)-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methylene)-3-methylpyridin-2-amine
0.0099
-
at pH 7.0 and 37°C Escherichia coli (E)-6-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methyleneamino)nicotinonitrile
0.0123
-
at pH 7.0 and 37°C Escherichia coli (E)-4-chloro-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)methylene)pyridin-2-amine
0.0128
-
at pH 7.0 and 37°C Escherichia coli (E)-5-chloro-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)methylene)pyridin-2-amine
0.0145
-
at pH 7.0 and 37°C Escherichia coli (E)-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methylene)pyridin-3-amine
0.0151
-
at pH 7.0 and 37°C Escherichia coli (E)-N-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-methylene)-4-methylpyridin-2-amine