Literature summary for 1.3.1.9 extracted from

Mehboob, S.; Song, J.; Hevener, K.E.; Su, P.C.; Boci, T.; Brubaker, L.; Truong, L.; Mistry, T.; Deng, J.; Cook, J.L.; Santarsiero, B.D.; Ghosh, A.K.; Johnson, M.E.
Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI) (2015), Bioorg. Med. Chem. Lett., 25, 1292-1296.

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Inhibitors

Inhibitors	Comment	Organism	Structure
1-[(2H-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole	-	Francisella tularensis subsp. tularensis
1-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-benzimidazole	-	Francisella tularensis subsp. tularensis
1-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole	-	Francisella tularensis subsp. tularensis
1-[(4-methoxy-3-methylphenyl)methyl]-1,5,6,7-tetrahydroindeno[5,6-d]imidazole	-	Francisella tularensis subsp. tularensis
1-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole	-	Francisella tularensis subsp. tularensis
1-[1-(3,4-dichlorophenyl)ethyl]-1,5,6,7-tetrahydroindeno[5,6-d]imidazole	-	Francisella tularensis subsp. tularensis
1-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole	-	Francisella tularensis subsp. tularensis
1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethyl-1H-benzimidazole	-	Francisella tularensis subsp. tularensis
1-[1-(3,4-dichlorophenyl)ethyl]-5,7-dihydro-1H-furo[3,4-f]benzimidazole	-	Francisella tularensis subsp. tularensis
1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-1,5,6,7-tetrahydroindeno[5,6-d]imidazole	-	Francisella tularensis subsp. tularensis

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
an acyl-[acyl-carrier protein] + NAD+	Francisella tularensis subsp. tularensis	-	a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+	-	?
an acyl-[acyl-carrier protein] + NAD+	Francisella tularensis subsp. tularensis Schu 4	-	a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+	-	?

Organism

Organism	UniProt	Comment	Textmining
Francisella tularensis subsp. tularensis	Q5NGQ3	-	-
Francisella tularensis subsp. tularensis Schu 4	Q5NGQ3	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
an acyl-[acyl-carrier protein] + NAD+	-	Francisella tularensis subsp. tularensis	a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+	-	?
an acyl-[acyl-carrier protein] + NAD+	-	Francisella tularensis subsp. tularensis Schu 4	a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+	-	?

Synonyms

Synonyms	Comment	Organism
enoyl-ACP reductase	-	Francisella tularensis subsp. tularensis
enoyl-acyl carrier protein reductase I	-	Francisella tularensis subsp. tularensis
ENR	-	Francisella tularensis subsp. tularensis
FabI	-	Francisella tularensis subsp. tularensis

Cofactor

Cofactor	Comment	Organism	Structure
NAD+	-	Francisella tularensis subsp. tularensis

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000005	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[(4-methoxy-3-methylphenyl)methyl]-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
0.000014	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
0.000018	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[1-(3,4-dichlorophenyl)ethyl]-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
0.00014	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
0.00024	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
0.0003	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-1H-benzimidazole
0.00032	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[(2H-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
0.00089	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[1-(3,4-dichlorophenyl)ethyl]-5,7-dihydro-1H-furo[3,4-f]benzimidazole
0.00136	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole
0.0037	-	pH and temperature not specified in the publication	Francisella tularensis subsp. tularensis	1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethyl-1H-benzimidazole

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Release 2023.1 (January 2023)