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Literature summary extracted from

  • Lee, P.J.; Bhonsle, J.B.; Gaona, H.W.; Huddler, D.P.; Heady, T.N.; Kreishman-Deitrick, M.; Bhattacharjee, A.; McCalmont, W.F.; Gerena, L.; Lopez-Sanchez, M.; Roncal, N.E.; Hudson, T.H.; Johnson, J.D.; Prigge, S.T.; Waters, N.C.
    Targeting the fatty acid biosynthesis enzyme, beta-ketoacyl-acyl carrier protein synthase III (PfKASIII), in the identification of novel antimalarial agents (2009), J. Med. Chem., 52, 952-963.
    View publication on PubMedView publication on EuropePMC

Application

EC Number Application Comment Organism
2.3.1.180 drug development the enzyme is a target for antiparasite inhibitors Plasmodium falciparum

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.3.1.180 (9E)-N-[(4-aminophenyl)sulfonyl]undec-9-enamide
-
 Plasmodium falciparum
2.3.1.180 (E)-2-(2,6-dimethylphenyl)ethenyl phenyl sulfone
-
 Plasmodium falciparum
2.3.1.180 (Z)-1-methyl-2-phenylethenyl phenyl sulfone
-
 Plasmodium falciparum
2.3.1.180 1,1'-disulfanediyldinaphthalen-2-ol
-
 Plasmodium falciparum
2.3.1.180 1-phenylethyl (2Z)-3-[(4,5-dimethyl-2-oxido-1,3,2-dioxaphospholan-2-yl)oxy]but-2-enoate
-
 Plasmodium falciparum
2.3.1.180 2,2'-(benzene-1,3-diyldisulfonyl)dibenzene-1,4-diol
-
 Plasmodium falciparum
2.3.1.180 2,2'-disulfanediylbis(4-chlorophenol)
-
 Plasmodium falciparum
2.3.1.180 2,2'-disulfanediyldiphenol
-
 Plasmodium falciparum
2.3.1.180 2,2'-sulfanediylbis(4-chlorophenol)
-
 Plasmodium falciparum
2.3.1.180 2,2'-trisulfane-1,3-diylbis(4-chlorophenol)
-
 Plasmodium falciparum
2.3.1.180 2,5-dichloro-4-nitro-N-[4-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
-
 Plasmodium falciparum
2.3.1.180 2,5-dichloro-N-[4-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
-
 Plasmodium falciparum
2.3.1.180 2-(butylsulfonyl)ethyl 4-nitrobenzoate
-
 Plasmodium falciparum
2.3.1.180 2-(tert-butylsulfonyl)-1-(2,4-dichlorophenyl)ethanone
-
 Plasmodium falciparum
2.3.1.180 2-amino-6-(naphthalen-2-ylsulfonyl)quinazolin-4-ol
-
 Plasmodium falciparum
2.3.1.180 2-chloro-4-sulfanylphenol
-
 Plasmodium falciparum
2.3.1.180 2-hydroxy-4-[(phenylsulfonyl)amino]benzoic acid
-
 Plasmodium falciparum
2.3.1.180 2-[(4-aminocyclohexyl)sulfonyl]naphthalene-1,4-diol
-
 Plasmodium falciparum
2.3.1.180 2-[(4-aminophenyl)sulfonyl]benzene-1,4-diol
-
 Plasmodium falciparum
2.3.1.180 2-[(4-methylphenyl)sulfonyl]benzene-1,4-diol
-
 Plasmodium falciparum
2.3.1.180 2-[(4-methylphenyl)sulfonyl]naphthalene-1,4-diol
-
 Plasmodium falciparum
2.3.1.180 2-[4-[3-bromo-4-(hydroxymethyl)phenyl]piperazin-1-yl]-1-(5-nitrofuran-2-yl)ethanone
-
 Plasmodium falciparum
2.3.1.180 3-[(4-aminophenyl)sulfonyl]-5-methylbenzene-1,2-diol
-
 Plasmodium falciparum
2.3.1.180 4,4'-disulfanediylbis(2,3,6-trichlorophenol)
-
 Plasmodium falciparum
2.3.1.180 4,4'-sulfanediyldibenzene-1,3-diol
-
 Plasmodium falciparum
2.3.1.180 4,4'-sulfonylbis(3-chloroaniline)
-
 Plasmodium falciparum
2.3.1.180 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
-
 Plasmodium falciparum
2.3.1.180 4-chloro-2-[(4-hydroxyphenyl)sulfonyl]phenol
-
 Plasmodium falciparum
2.3.1.180 4-methylphenyl naphthalen-2-yl sulfone
-
 Plasmodium falciparum
2.3.1.180 4-methylphenyl phenyl sulfone
-
 Plasmodium falciparum
2.3.1.180 5-[[4-(hydroxyamino)phenyl]sulfonyl]-1,3-thiazol-2-amine
-
 Plasmodium falciparum
2.3.1.180 6-amino-2-hydroxy-2,5-dimethylhexanamide
-
 Plasmodium falciparum
2.3.1.180 benzyl (E)-2-[(4-methylphenyl)sulfanyl]ethenyl sulfone
-
 Plasmodium falciparum
2.3.1.180 bis(4-chlorophenyl)trisulfane
-
 Plasmodium falciparum
2.3.1.180 bis(4-methylphenyl)trisulfane
-
 Plasmodium falciparum
2.3.1.180 bis[4-(1-methylethyl)phenyl] sulfone
-
 Plasmodium falciparum
2.3.1.180 diphenyl sulfide
-
 Plasmodium falciparum
2.3.1.180 ethyl 4-methylpyridine-3-carboxylate
-
 Plasmodium falciparum
2.3.1.180 N-(3-chlorophenyl)benzenesulfonamide
-
 Plasmodium falciparum
2.3.1.180 N-(4-[[4-(acetylamino)phenyl]sulfonyl]phenyl)-2-hydroxybenzamide
-
 Plasmodium falciparum
2.3.1.180 N-[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-nitrocyclopenta-1,3-diene-1-sulfonamide
-
 Plasmodium falciparum
2.3.1.180 S-[2-(4-methoxyphenyl)-2-oxoethyl] benzenesulfonothioate
-
 Plasmodium falciparum
2.3.1.180 thiolactomycin
-
 Plasmodium falciparum

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.3.1.180 acetyl-CoA + malonyl-[acyl-carrier protein] Plasmodium falciparum
-
 3-oxobutanoyl-[acyl-carrier protein] + CoA + CO2
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.3.1.180 Plasmodium falciparum
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.3.1.180 acetyl-CoA + malonyl-[acyl-carrier protein]
-
 Plasmodium falciparum 3-oxobutanoyl-[acyl-carrier protein] + CoA + CO2
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.3.1.180 beta-ketoacyl-ACP synthase III
-
 Plasmodium falciparum
2.3.1.180 beta-ketoacyl-acyl carrier protein synthase III
-
 Plasmodium falciparum
2.3.1.180 KASIII
-
 Plasmodium falciparum

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.3.1.180 0.00013
-
-
 Plasmodium falciparum 1,1'-disulfanediyldinaphthalen-2-ol
2.3.1.180 0.00013
-
-
 Plasmodium falciparum 4,4'-sulfonylbis(3-chloroaniline)
2.3.1.180 0.00014
-
-
 Plasmodium falciparum 2,2'-disulfanediylbis(4-chlorophenol)
2.3.1.180 0.00024
-
-
 Plasmodium falciparum 4,4'-disulfanediylbis(2,3,6-trichlorophenol)
2.3.1.180 0.00024
-
-
 Plasmodium falciparum 6-amino-2-hydroxy-2,5-dimethylhexanamide
2.3.1.180 0.00028
-
-
 Plasmodium falciparum 2,5-dichloro-4-nitro-N-[4-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
2.3.1.180 0.00032
-
-
 Plasmodium falciparum 2-(butylsulfonyl)ethyl 4-nitrobenzoate
2.3.1.180 0.00038
-
-
 Plasmodium falciparum 2-[(4-methylphenyl)sulfonyl]naphthalene-1,4-diol
2.3.1.180 0.00044
-
-
 Plasmodium falciparum 2-[(4-aminocyclohexyl)sulfonyl]naphthalene-1,4-diol
2.3.1.180 0.00052
-
-
 Plasmodium falciparum benzyl (E)-2-[(4-methylphenyl)sulfanyl]ethenyl sulfone
2.3.1.180 0.00053
-
-
 Plasmodium falciparum 2,2'-trisulfane-1,3-diylbis(4-chlorophenol)
2.3.1.180 0.00063
-
-
 Plasmodium falciparum bis(4-chlorophenyl)trisulfane
2.3.1.180 0.00065
-
-
 Plasmodium falciparum diphenyl sulfide
2.3.1.180 0.0014
-
-
 Plasmodium falciparum bis(4-methylphenyl)trisulfane
2.3.1.180 0.0015
-
-
 Plasmodium falciparum S-[2-(4-methoxyphenyl)-2-oxoethyl] benzenesulfonothioate
2.3.1.180 0.0019
-
-
 Plasmodium falciparum 2,2'-disulfanediyldiphenol
2.3.1.180 0.0022
-
-
 Plasmodium falciparum 2,5-dichloro-N-[4-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
2.3.1.180 0.0028
-
-
 Plasmodium falciparum 2-chloro-4-sulfanylphenol
2.3.1.180 0.0031
-
-
 Plasmodium falciparum 2,2'-sulfanediylbis(4-chlorophenol)
2.3.1.180 0.0032
-
-
 Plasmodium falciparum 2-[4-[3-bromo-4-(hydroxymethyl)phenyl]piperazin-1-yl]-1-(5-nitrofuran-2-yl)ethanone
2.3.1.180 0.0049
-
-
 Plasmodium falciparum ethyl 4-methylpyridine-3-carboxylate
2.3.1.180 0.005
-
-
 Plasmodium falciparum 2-hydroxy-4-[(phenylsulfonyl)amino]benzoic acid
2.3.1.180 0.0052
-
-
 Plasmodium falciparum N-[3,5-bis(trifluoromethyl)phenyl]-4-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-nitrocyclopenta-1,3-diene-1-sulfonamide
2.3.1.180 0.0108
-
-
 Plasmodium falciparum 4,4'-sulfanediyldibenzene-1,3-diol
2.3.1.180 0.0183
-
-
 Plasmodium falciparum 2-amino-6-(naphthalen-2-ylsulfonyl)quinazolin-4-ol
2.3.1.180 0.022
-
-
 Plasmodium falciparum 5-[[4-(hydroxyamino)phenyl]sulfonyl]-1,3-thiazol-2-amine
2.3.1.180 0.0225
-
-
 Plasmodium falciparum bis[4-(1-methylethyl)phenyl] sulfone
2.3.1.180 0.0258
-
-
 Plasmodium falciparum 1-phenylethyl (2Z)-3-[(4,5-dimethyl-2-oxido-1,3,2-dioxaphospholan-2-yl)oxy]but-2-enoate
2.3.1.180 0.0272
-
-
 Plasmodium falciparum 3-[(4-aminophenyl)sulfonyl]-5-methylbenzene-1,2-diol
2.3.1.180 0.0382
-
-
 Plasmodium falciparum 2,2'-(benzene-1,3-diyldisulfonyl)dibenzene-1,4-diol
2.3.1.180 0.0481
-
-
 Plasmodium falciparum N-(4-[[4-(acetylamino)phenyl]sulfonyl]phenyl)-2-hydroxybenzamide
2.3.1.180 0.0537
-
-
 Plasmodium falciparum 4-methylphenyl naphthalen-2-yl sulfone
2.3.1.180 0.0629
-
-
 Plasmodium falciparum 2-(tert-butylsulfonyl)-1-(2,4-dichlorophenyl)ethanone
2.3.1.180 0.0638
-
-
 Plasmodium falciparum 2-[(4-aminophenyl)sulfonyl]benzene-1,4-diol
2.3.1.180 0.075
-
-
 Plasmodium falciparum thiolactomycin
2.3.1.180 0.1146
-
-
 Plasmodium falciparum 4-chloro-2-[(4-hydroxyphenyl)sulfonyl]phenol
2.3.1.180 0.1575
-
-
 Plasmodium falciparum 4-methylphenyl phenyl sulfone
2.3.1.180 0.1646
-
-
 Plasmodium falciparum (Z)-1-methyl-2-phenylethenyl phenyl sulfone
2.3.1.180 0.1926
-
-
 Plasmodium falciparum 2-[(4-methylphenyl)sulfonyl]benzene-1,4-diol
2.3.1.180 0.1952
-
-
 Plasmodium falciparum N-(3-chlorophenyl)benzenesulfonamide
2.3.1.180 0.4477
-
-
 Plasmodium falciparum (E)-2-(2,6-dimethylphenyl)ethenyl phenyl sulfone
2.3.1.180 1
-
 above Plasmodium falciparum 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
2.3.1.180 1
-
 above Plasmodium falciparum (9E)-N-[(4-aminophenyl)sulfonyl]undec-9-enamide

General Information

EC Number General Information Comment Organism
2.3.1.180 physiological function the enzyme plays an important role in fatty acid synthesis initiation in Plasmodium falciparum, overview Plasmodium falciparum