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Literature summary for 3.4.24.83 extracted from

  • Schepetkin, I.A.; Khlebnikov, A.I.; Kirpotina, L.N.; Quinn, M.T.
    Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening (2006), J. Med. Chem., 49, 5232-5244.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(1Z,6E)-4-(1,3-dithian-2-ylidene)-1,7-difuran-2-ylhepta-1,6-diene-3,5-dione
-
Bacillus anthracis
(5E)-5-(1,3-benzothiazol-2-ylimino)-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
-
Bacillus anthracis
(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-2-thioxoimidazolidin-4-one
-
Bacillus anthracis
2-chloro-4-(5-[(Z)-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl]furan-2-yl)benzoic acid
-
Bacillus anthracis
2-chloro-4-[[(4Z)-4-[[4-(methylsulfanyl)phenyl]methylidene]-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl]sulfamoyl]benzoic acid
-
Bacillus anthracis
2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
-
Bacillus anthracis
2-chloro-5-[(4Z)-3-methyl-4-[[4-(1-methylethyl)phenyl]methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
-
Bacillus anthracis
2-chloro-5-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
-
Bacillus anthracis
2-hydroxy-5-(5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl)benzoic acid
-
Bacillus anthracis
2-[[(2-amino-2-carboxyethyl)sulfanyl]methyl]-5-phenylfuran-3-carboxylic acid
-
Bacillus anthracis
3,3'-methanediylbis(6-hydroxybenzoic acid)
-
Bacillus anthracis
3-(5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl)benzoic acid
-
Bacillus anthracis
3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
-
Bacillus anthracis
4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid
-
Bacillus anthracis
4-[5-[(E)-(5-cyano-2-hydroxy-4-methyl-6-oxopyridin-3(6H)-ylidene)methyl]furan-2-yl]benzenesulfonamide
-
Bacillus anthracis
4-[[(4-chlorophenyl)carbamoyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
-
Bacillus anthracis
5-bromo-2-(5-[(Z)-[1-(3-carboxyphenyl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl]furan-2-yl)benzoic acid
-
Bacillus anthracis
5-chloro-2-[5-[(E)-(1,5-dioxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-2(1H)-ylidene)methyl]furan-2-yl]benzoic acid
-
Bacillus anthracis
8-[(E)-[[4-(2,3-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]imino]methyl]-4H-1,3-benzodioxine-6-carboxylic acid
-
Bacillus anthracis
[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid
-
Bacillus anthracis
[[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl]acetic acid
-
Bacillus anthracis

Metals/Ions

Metals/Ions Comment Organism Structure
Zn2+ dependent Bacillus anthracis

Organism

Organism UniProt Comment Textmining
Bacillus anthracis
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
mitogen-activated protein kinase kinase + H2O
-
Bacillus anthracis ?
-
?

Synonyms

Synonyms Comment Organism
anthrax lethal factor
-
Bacillus anthracis

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0008
-
5-chloro-2-[5-[(E)-(1,5-dioxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-2(1H)-ylidene)methyl]furan-2-yl]benzoic acid
-
Bacillus anthracis
0.0009
-
2-chloro-5-[(4Z)-3-methyl-4-[[4-(1-methylethyl)phenyl]methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
-
Bacillus anthracis
0.0009
-
4-[[(4-chlorophenyl)carbamoyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
-
Bacillus anthracis
0.0009
-
[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid
-
Bacillus anthracis
0.0011
-
(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-2-thioxoimidazolidin-4-one
-
Bacillus anthracis
0.0015
-
4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid
-
Bacillus anthracis
0.0016
-
[[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl]acetic acid
-
Bacillus anthracis
0.0016
-
5-bromo-2-(5-[(Z)-[1-(3-carboxyphenyl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl]furan-2-yl)benzoic acid
-
Bacillus anthracis
0.0018
-
8-[(E)-[[4-(2,3-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]imino]methyl]-4H-1,3-benzodioxine-6-carboxylic acid
-
Bacillus anthracis
0.0021
-
2-chloro-5-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
-
Bacillus anthracis
0.0024
-
3,3'-methanediylbis(6-hydroxybenzoic acid)
-
Bacillus anthracis
0.0024
-
2-chloro-4-(5-[(Z)-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl]furan-2-yl)benzoic acid
-
Bacillus anthracis
0.0025
-
2-chloro-4-[[(4Z)-4-[[4-(methylsulfanyl)phenyl]methylidene]-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl]sulfamoyl]benzoic acid
-
Bacillus anthracis
0.0027
-
(1Z,6E)-4-(1,3-dithian-2-ylidene)-1,7-difuran-2-ylhepta-1,6-diene-3,5-dione
-
Bacillus anthracis
0.0029
-
2-[[(2-amino-2-carboxyethyl)sulfanyl]methyl]-5-phenylfuran-3-carboxylic acid
-
Bacillus anthracis
0.0031
-
2-hydroxy-5-(5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl)benzoic acid
-
Bacillus anthracis
0.0033
-
3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
-
Bacillus anthracis
0.0042
-
(5E)-5-(1,3-benzothiazol-2-ylimino)-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
-
Bacillus anthracis
0.0054
-
4-[5-[(E)-(5-cyano-2-hydroxy-4-methyl-6-oxopyridin-3(6H)-ylidene)methyl]furan-2-yl]benzenesulfonamide
-
Bacillus anthracis
0.0056
-
2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
-
Bacillus anthracis
0.0072
-
3-(5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl)benzoic acid
-
Bacillus anthracis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0008
-
-
Bacillus anthracis 5-chloro-2-[5-[(E)-(1,5-dioxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-2(1H)-ylidene)methyl]furan-2-yl]benzoic acid
0.0017
-
-
Bacillus anthracis 5-bromo-2-(5-[(Z)-[1-(3-carboxyphenyl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl]furan-2-yl)benzoic acid
0.0029
-
-
Bacillus anthracis [[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl]acetic acid
0.003
-
-
Bacillus anthracis (1Z,6E)-4-(1,3-dithian-2-ylidene)-1,7-difuran-2-ylhepta-1,6-diene-3,5-dione
0.0031
-
-
Bacillus anthracis 3,3'-methanediylbis(6-hydroxybenzoic acid)
0.0034
-
-
Bacillus anthracis (5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-2-thioxoimidazolidin-4-one
0.0036
-
-
Bacillus anthracis 2-[[(2-amino-2-carboxyethyl)sulfanyl]methyl]-5-phenylfuran-3-carboxylic acid
0.0036
-
-
Bacillus anthracis 2-chloro-4-[[(4Z)-4-[[4-(methylsulfanyl)phenyl]methylidene]-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl]sulfamoyl]benzoic acid
0.0039
-
-
Bacillus anthracis 4-[[(4-chlorophenyl)carbamoyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
0.0042
-
-
Bacillus anthracis 2-chloro-4-(5-[(Z)-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl]furan-2-yl)benzoic acid
0.0043
-
-
Bacillus anthracis 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid
0.0044
-
-
Bacillus anthracis 3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
0.0048
-
-
Bacillus anthracis 2-hydroxy-5-(5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl)benzoic acid
0.0068
-
-
Bacillus anthracis 2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
0.0076
-
-
Bacillus anthracis [4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetic acid
0.0077
-
-
Bacillus anthracis (5E)-5-(1,3-benzothiazol-2-ylimino)-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
0.0079
-
-
Bacillus anthracis 2-chloro-5-[(4Z)-3-methyl-4-[[4-(1-methylethyl)phenyl]methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
0.0083
-
-
Bacillus anthracis 4-[5-[(E)-(5-cyano-2-hydroxy-4-methyl-6-oxopyridin-3(6H)-ylidene)methyl]furan-2-yl]benzenesulfonamide
0.0093
-
-
Bacillus anthracis 8-[(E)-[[4-(2,3-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]imino]methyl]-4H-1,3-benzodioxine-6-carboxylic acid
0.0105
-
-
Bacillus anthracis 3-(5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl)benzoic acid
0.0107
-
-
Bacillus anthracis 2-chloro-5-[(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid