Literature summary for 2.3.1.180 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.

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Application

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

Inhibitors

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

Natural Substrates/ Products (Substrates)

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

Organism

Organism	UniProt	Comment	Textmining
Plasmodium falciparum	-	-	-

Substrates and Products (Substrate)

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

Synonyms

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

IC50 Value

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

General Information

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