Information on EC 1.3.1.9 - enoyl-[acyl-carrier-protein] reductase (NADH)

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The expected taxonomic range for this enzyme is: Bacteria, Eukaryota

EC NUMBER
COMMENTARY hide
1.3.1.9
-
RECOMMENDED NAME
GeneOntology No.
enoyl-[acyl-carrier-protein] reductase (NADH)
REACTION
REACTION DIAGRAM
COMMENTARY hide
ORGANISM
UNIPROT
LITERATURE
an acyl-[acyl-carrier protein] + NAD+ = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
PATHWAY
BRENDA Link
KEGG Link
MetaCyc Link
(5Z)-dodec-5-enoate biosynthesis
-
-
8-amino-7-oxononanoate biosynthesis I
-
-
arachidonate biosynthesis
-
-
cis-vaccenate biosynthesis
-
-
Fatty acid biosynthesis
-
-
fatty acid elongation -- saturated
-
-
gondoate biosynthesis (anaerobic)
-
-
lipid metabolism
-
-
Metabolic pathways
-
-
mycolate biosynthesis
-
-
oleate biosynthesis IV (anaerobic)
-
-
palmitate biosynthesis
-
-
palmitate biosynthesis II (bacteria and plants)
-
-
palmitoleate biosynthesis I (from (5Z)-dodec-5-enoate)
-
-
stearate biosynthesis II (bacteria and plants)
-
-
superpathway of mycolate biosynthesis
-
-
SYSTEMATIC NAME
IUBMB Comments
acyl-[acyl-carrier protein]:NAD+ oxidoreductase
The enzyme catalyses an essential step in fatty acid biosynthesis, the reduction of the 2,3-double bond in enoyl-acyl-[acyl-carrier-protein] derivatives of the elongating fatty acid moiety. The enzyme from the bacterium Escherichia coli accepts substrates with carbon chain length from 4 to 18 [3]. The enzyme from the bacterium Mycobacterium tuberculosis prefers substrates with carbon chain length from 12 to 24 carbons [4,5].
CAS REGISTRY NUMBER
COMMENTARY hide
37251-08-4
-
ORGANISM
COMMENTARY hide
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
-
UniProt
Manually annotated by BRENDA team
variant Columbia [Col-0]
-
-
Manually annotated by BRENDA team
-
SwissProt
Manually annotated by BRENDA team
-
SwissProt
Manually annotated by BRENDA team
; gene fabV
UniProt
Manually annotated by BRENDA team
gene fabV
UniProt
Manually annotated by BRENDA team
safflower
-
-
Manually annotated by BRENDA team
gene fabI
SwissProt
Manually annotated by BRENDA team
avocado
-
-
Manually annotated by BRENDA team
strain RN4220
-
-
Manually annotated by BRENDA team
-
-
-
Manually annotated by BRENDA team
strain ATCC 14547
-
-
Manually annotated by BRENDA team
-
UniProt
Manually annotated by BRENDA team
-
UniProt
Manually annotated by BRENDA team
GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
malfunction
physiological function of the enzyme is examined by knocking out the gene and determining the effect of the gene disruptions on cell growth and triclosan sensitivity, the gene is not essential
metabolism
physiological function
SUBSTRATE
PRODUCT                       
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
(2E)-2-dodecenoyl-CoA + NADH + H+
dodecanoyl-CoA + NAD+
show the reaction diagram
(2E)-but-2-enoyl-[acyl carrier protein] + NADH + H+
butanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
?
2-decenoyl-[acyl-carrier protein] + NADH
decanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
2-dodecenoyl-[acyl-carrier protein] + NADH
dodecanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
-
?
2-hexadecenoyl-[acyl-carrier protein] + NADH
hexadecanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
-
?
2-hexenoyl-[acyl-carrier protein] + NADH
hexanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
2-octenoyl-[acyl-carrier protein] + NADH
octanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
2-trans-dodecenoyl-CoA + NADH
dodecanoyl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
an acyl-[acyl-carrier protein] + NAD+
a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
crotonoyl-CoA + NADH
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonoyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
?
crotonyl-CoA + NAD+
?
show the reaction diagram
-
inhibition assay
-
-
?
crotonyl-CoA + NAD+
butyryl-CoA + NADH + H+
show the reaction diagram
crotonyl-CoA + NADH
butyryl-CoA + NAD+
show the reaction diagram
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
crotonyl-CoA + NADPH + H+
butyryl-CoA + NADP+
show the reaction diagram
crotonyl-N-acetyl-cysteamine + NADH
butyryl-N-acetyl-cysteamine + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-[acyl-carrier protein] + NAD+
? + NADH + H+
show the reaction diagram
crotonyl-[acyl-carrier protein] + NADH
butyryl-[acyl-carrier protein] + NAD+
show the reaction diagram
crotonyl-[acyl-carrier protein] + NADH +
butyryl-[acyl-carrier protein] + NAD+
show the reaction diagram
crotonyl-[acyl-carrier protein] + NADH + H+
butyryl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
?
crotonyl-[acyl-carrier-protein] + NADH + H+
butyryl-[acyl-carrier-protein] + NAD+
show the reaction diagram
dodecenoyl-CoA + NADH + H+
dodecanoyl-CoA + NAD+
show the reaction diagram
-
-
-
?
enoyl esters of acyl-carrier protein + NADH
?
show the reaction diagram
enoyl-ACP + NADH + H+
acyl-ACP + NAD+
show the reaction diagram
S-((2E)-oct-2-enoyl)-N-acetylcysteamine + NADH + H+
S-octanoyl-N-acetylcysteamine + NAD+
show the reaction diagram
-
-
-
?
trans-2,3-dehydracyl-[acyl-carrier protein] + NADH + H+
acyl-[acyl-carrier protein] + NAD+
show the reaction diagram
trans-2-decenoyl-CoA + NADH
decanoyl-CoA + NAD+
show the reaction diagram
-
-
-
?
trans-2-decenoyl-CoA + NADH + H+
decanoyl-CoA + NAD+
show the reaction diagram
trans-2-decenoyl-[acyl-carrier protein] + NADH
decanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
trans-2-decenoyl-[acyl-carrier protein] + NADH + H+
decanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
?
trans-2-dodecenoyl-ACP + NADH
dodecanoyl-ACP + NAD+
show the reaction diagram
-
-
-
-
?
trans-2-dodecenoyl-CoA + NADH
dodecanoyl-CoA + NAD+
show the reaction diagram
trans-2-dodecenoyl-CoA + NADH + H+
dodecanoyl-CoA + NAD+
show the reaction diagram
trans-2-dodecenoyl-[acyl-carrier protein] + NADH
dodecanoyl-ACP + NAD+
show the reaction diagram
trans-2-dodecenoyl-[acyl-carrier protein] + NADH
dodecanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
-
?
trans-2-enoyl-ACP + NADH + H+
acyl-ACP + NAD+
show the reaction diagram
-
-
-
-
?
trans-2-enoyl-acyl-ACP + NADH + H+
acyl-ACP + NAD+
show the reaction diagram
-
-
-
-
?
trans-2-octenoyl-CoA + NADH + H+
octanoyl-CoA + NAD+
show the reaction diagram
-
-
-
?
trans-2-octenoyl-N-acetylcysteamine + NADH
octanoyl-N-acetylcysteamine + NAD+
show the reaction diagram
-
-
-
-
?
trans-but-2-enoyl-CoA + NADH
butanoyl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
trans-but-2-enoyl-[acyl-carrier protein] + NADH
butanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
trans-but-2-enoyl-[acyl-carrier protein] + NADH
butanoyl-[acyl-carrrier-protein] + NAD+
show the reaction diagram
-
highly selective for NADH
-
-
?
additional information
?
-
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
an acyl-[acyl-carrier protein] + NAD+
a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
enoyl esters of acyl-carrier protein + NADH
?
show the reaction diagram
enoyl-ACP + NADH + H+
acyl-ACP + NAD+
show the reaction diagram
trans-2,3-dehydracyl-[acyl-carrier protein] + NADH + H+
acyl-[acyl-carrier protein] + NAD+
show the reaction diagram
trans-2-enoyl-acyl-ACP + NADH + H+
acyl-ACP + NAD+
show the reaction diagram
-
-
-
-
?
additional information
?
-
COFACTOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
additional information
-
no activity with NADPH
-
METALS and IONS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
Cs+
-
activation by univalent cations in descending order, NH4+, Rb+, Cs+, K+, and Na+
K+
-
activation by univalent cations in descending order, NH4+, Rb+, Cs+, K+, and Na+
Na+
-
activation by univalent cations in descending order, NH4+, Rb+, Cs+, K+, and Na+
NH4+
-
15fold activation at 100 mM
Rb+
-
activation by univalent cations in descending order, NH4+, Rb+, Cs+, K+, and Na+
INHIBITORS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
(-)-catechin gallate
-
IC50: 0.3 microM
(-)-epicatechin gallate
-
IC50: 0.2 microM
(-)-epigallocatechin gallate
-
IC 50: 0.2 microM
(-)-gallocatechin gallate
-
IC50: 0.5 microM
(2E)-3-(1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
(2E)-3-(6-aminopyridin-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
-
(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
(2E)-3-pyren-1-yl-1-[4-(1H-triaziren-1-yl)phenyl]prop-2-en-1-one
-
45% residual activity at 0.05 mM
(2E)-3-[6-(acetylamino)pyridin-3-yl]-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
-
(2E)-N-(1H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
-
-
(2E)-N-(2-aminobenzyl)-3-(6-aminopyridin-3-yl)prop-2-enamide
-
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(3-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide
(2E)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
(2E,4E)-N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide
-
(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide
-
(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
-
-
(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
-
-
(3aR,4S,6aR)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4,5-diyldimethanol
-
-
(5Z)-3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-fluorophenyl)-5-[(3-hydroxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-methoxyphenyl)-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-methoxyphenyl)-5-[[4-(1-methylethyl)phenyl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-[3-chloro-4-(2-methylprop-1-en-1-yl)phenyl]-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-[4-(diethylamino)phenyl]-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3-hydroxy-5-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(4-methoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-2-thioxo-3-(3,4,5-trimethylcyclohex-1-en-1-yl)-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-3-(7-ethenyl-2,3-dihydro-1H-inden-5-yl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(E)-1-benzyl-2-methyl-3-[2-(pyridin-3-yl)vinyl]-4-pyridone
-
IC50: higher than 0.100 mM
(E)-N-(1,2-dimethyl-1-H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetra hydro-1,8-naphthyridin-3-yl)acrylamide
-
(E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide
-
0.00007 mM, 50% inhibition
(E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphtyridin-3-yl)-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide
-
0.00002 mM, 50% inhibition
(E)-N-methyl-N-(1,2-dimethyl-1H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
(E)-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
(E)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
(RS)-1-hydroxy-1-[3-(octadecyloxy)-phenyl]-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one
-
28% inhibition at 0.03 mM, IC50 for growth of Mycobacterium tuberculosis is 0.012 mM
(RS)-1-[3-(dodecylsulfanyl)phenyl]-1-hydroxy-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one
-
15% inhibition at 0.03 mM, IC50 for growth of Mycobacterium tuberculosis is 0.0065 mM
1,3-bis(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1,3-dibenzyl-2-methyl-4-pyridone
1-(2,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
-
-
1-(2-chlorobenzyl)-4-(naphthalen-1-ylmethoxy)pyridin-2(1H)-one
-
-
1-(2-chlorobenzyl)-4-(naphthalen-2-ylmethoxy)pyridin-2(1H)-one
-
-
1-(2-chlorobenzyl)-4-hexylpyridin-2(1H)-one
competitive
1-(2-chlorobenzyl)-4-[(4-methoxybenzyl)oxy]pyridin-2(1H)-one
-
1-(2-chlorobenzyl)-4-[3-(1H-imidazol-1-yl)propoxy]pyridin-2(1H)-one
-
-
1-(2-chlorobenzyl)-4-[3-(1H-indol-1-yl)propoxy]pyridin-2(1H)-one
-
-
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
-
compound has significant antibacterial activity against both Gram-positive and Gram-negative bacterial pathogens
1-(3-amino-2-methylbenzyl)-4-(2-thiophen-2-ylethoxy)pyridin-2(1H)-one
1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one
competitive
1-(3-chloro-4-nitrophenyl)-1,3-dihydro-2H-benzimidazol-2-one
-
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
1-(3-chlorocyclohexyl)-4-[(2-fluorophenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(3,4-dichlorophenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(3,4-dimethylphenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(3-chlorophenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(3-methylphenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(4-fluorophenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(4-methylphenyl)carbonyl]piperazine
-
-
1-(4-amino-2-chlorobenzyl)-4-(benzyloxy)pyridin-2(1H)-one
-
-
1-(4-aminobenzyl)-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-(4-bromophenyl)-3-(dibenzo[b,d]furan-3-ylamino)propan-1-one
-
47% residual activity at 0.05 mM
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
-
-
1-(4-nitrobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one
-
1-(4-nitrobenzyl)-1,3-dihydro-2H-benzimidazol-2-one
-
1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine
-
-
1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]piperazine
-
-
1-(cyclohexylmethyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
-
-
1-(cyclohexylmethyl)-4-(phenylcarbonyl)piperazine
-
-
1-benzyl-2-butyl-3-(2,6-dichlorobenzyl)-4-pyridone
1-benzyl-2-methyl-3-(2,4,6-trichlorobenzyl)-4-pyridone
1-benzyl-2-methyl-3-phenyl-4-pyridone
-
IC50: 0.0029 mM
1-benzyl-2-methyl-3-vinyl-4-pyridone
-
IC50: higher than 0.100 mM
1-benzyl-2-methyl-3-[2-(pyridin-3-yl)ethyl]-4-pyridone
-
IC50: higher than 0.100 mM
1-benzyl-3-(2,4-dichlorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2,6-dichlorobenzyl)-2-ethyl-4-pyridone
1-benzyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2,6-difluorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2,6-dimethylbenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2-chloro-6-fluorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-(2-chlorobenzyl)-2-methyl-4-pyridone
1-benzyl-3-butyl-2-methyl-4-pyridone
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
-
-
1-benzyl-4-hydroxypyridin-2(1H)-one
-
; less than 30% inhibition at 0.1 mM
1-benzyl-4-[3-(9H-carbazol-9-yl)propoxy]pyridin-2(1H)-one
-
; less than 30% inhibition at 0.1 mM
1-bicyclo[2.2.1]hept-2-yl-N-biphenyl-3-yl-5-oxopyrrolidine-3-carboxamide
-
-
1-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-cycloheptyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-4-(2,3-dihydro-1H-indol-1-ylcarbonyl)pyrrolidin-2-one
-
-
1-cyclohexyl-4-(phenylcarbonyl)piperazine
-
-
1-cyclohexyl-4-([4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)pyrrolidin-2-one
-
-
1-cyclohexyl-4-([4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)pyrrolidin-2-one
-
-
1-cyclohexyl-4-[(3,4-dichlorophenyl)carbonyl]piperazine
-
-
1-cyclohexyl-4-[(4-methylphenyl)carbonyl]piperazine
-
-
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
-
-
1-cyclohexyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-5'-yl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-oxopyrrolidine-3-carboxamide
-
best inhibitor of the sreening with an IC50: 62 nanoM
1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-(9-ethyl-9H-carbazol-2-yl)-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-9H-fluoren-4-yl-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-[(2'-hydroxy-1,1':3',1''-terphenyl-5'-yl)methyl]-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-[3-(1-methylethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexyl-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
-
-
1-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-cyclooctyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
-
-
1-decyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
1-ethoxy-1-oxopropan-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
-
1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
-
-
1-[(3-chlorophenyl)carbonyl]-4-(cyclohexylmethyl)piperidine
-
-
1-[(3-methylphenyl)carbonyl]-4-(4-nitrocyclohexyl)piperazine
-
-
1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
-
-
1-[(4-nitrophenyl)sulfonyl]-1,3-dihydro-2H-benzimidazol-2-one
-
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-phenylethane-1,2-dione
-
-
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]propane-1,2-dione
-
-
1-[4-(2-hydroxy-4-propylphenoxy)phenyl]ethanone
B0Q840
-
1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone
-
-
1-[bis(4-fluorophenyl)methyl]-4-(phenylcarbonyl)piperazine
-
-
1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)carbonyl]piperazine
-
-
2,4,4'-trichloro-2'-hydroxydiphenyl ether
-
trivial name triclosan
2,4-dichloro-N-(2-[[2-oxo-2-(phenylamino)ethyl]sulfanyl]-1,3-benzothiazol-6-yl)benzamide
-
49% residual activity at 0.05 mM
2-(2'-amino-4'-chloro-phenoxy)-5-chloro-phenol
-
inhibits the parasite growth, uncompetitive inhibition kinetics with crotonoyl-CoA and competitive with NADH
2-(2,4-dichlorophenoxy)-5-(2-ethylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2H-tetrazol-5-yl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-chlorophenol
-
triclosan, dissociation constant of the inhibitor from the enzyme-NAD+ product complex: 7.0 pM
2-(2,4-dichlorophenoxy)-5-ethylphenol
-
-
2-(2,4-dichlorophenoxy)-5-methylphenol
-
-
2-(2,4-dichlorophenoxy)-5-propylphenol
-
-
2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol
-
-
2-(2,4-dinitrophenoxy)-5-propylphenol
2-(2-amino-4-chlorophenoxy)-5-chlorophenol
-
IC50 for Plasmodium falciparum in culture 0.0084 mM
2-(2-aminophenoxy)-5-chlorophenol
-
-
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
2-(2-hydroxybenzyl)-phenol
-
uncompetitive inhibition
2-(2-hydroxyphenoxy)phenol
-
-
2-(2-hydroxyphenyl)-phenol
-
uncompetitive inhibition
2-(2-[(benzylamino)methyl]-4-chlorophenoxy)-5-chlorophenol
-
-
2-(3-chlorophenoxy)-5-propylphenol
-
2-(3-dimethylaminophenoxy)-5-propylphenol
B0Q840
-
2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methyl phenol
-
cyperin
2-(3-hydroxymethyl-phenoxy)-5-propylphenol
B0Q840
-
2-(3-nitrophenoxy)-5-propylphenol
2-(4-amino-2-chlorophenoxy)-5-chlorophenol
-
-
2-(4-aminophenoxy)-5-chlorophenol
B0Q840
-
2-(4-aminophenoxy)-5-propylphenol
2-(4-methanesulfinylphenoxy)-5-propylphenol
B0Q840
-
2-(4-methanesulfonylphenoxy)-5-propylphenol
B0Q840
-
2-(4-methylsulfanylphenoxy)-5-propylphenol
B0Q840
-
2-(4-nitrophenoxy)-5-propylphenol
2-(4-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-hydroxyphenoxy)-5-methylbenzonitrile
-
predicted inhibitor, based on in-silico screening
2-(5-chlorothiophen-2-yl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]quinoline-4-carboxamide
-
-
2-(biphenyl-3-yloxy)-5-propylphenol
B0Q840
-
2-(biphenyl-4-yloxy)-5-chlorophenol
2-(dimethylamino)ethyl 3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
-
-
2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
2-(o-tolyloxy)-5-hexylphenol
-
i.e. PT70, a slow, tight binding inhibitor of InhA. PT70 binds preferentially to the InhA-NAD+ complex, binding structure, overview. It has a residence time of 24 min on the target, which is 14000times longer than that of the rapid reversible inhibitor from which it is derived. The slow onset inhibition is coupled to ordering of an active site loop, which leads to the closure of the substrate-binding pocke
2-amino-N-(5-chloro-2-phenoxyphenyl)pyridine-3-carboxamide
-
2-phenoxy-5-propylphenol
2-phenoxyphenol
2-[(3-chlorophenyl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
-
-
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
-
25% residual activity at 0.05 mM
2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
2-[2-(dimethylamino)-4-sulfanylphenoxy]-5-[[(2-phenylethyl)amino]methyl]phenol
-
predicted inhibitor, based on in-silico screening
2-[2-[(benzylamino)methyl]phenoxy]-5-chlorophenol
-
-
2-[3-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
B0Q840
-
2-[3-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
B0Q840
-
2-[3-(2-hydroxy-ethyl)phenoxy]-5-propylphenol
B0Q840
-
2-[3-(2-hydroxyethyl)phenoxy]-5-propylphenol
-
2-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-oxoacetamide
-
-
2-[4-(1-hydroxyethyl)phenoxy]-5-propylphenol
B0Q840
-
2-[4-(2,4-dinitrophenyl)-1H-pyrazol-1-yl]-4-(trifluoromethyl)pyrimidine
-
-
2-[4-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
B0Q840
-
2-[4-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
B0Q840
-
2-[4-(benzylamino)-2-chlorophenoxy]-5-chlorophenol
-
-
2-[[4-amino-5-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide
-
3% residual activity at 0.05 mM
2-[[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[4-bromo-2-(1-methylethyl)phenyl]acetamide
-
52% residual activity at 0.05 mM
2-[[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
-
20% residual activity at 0.05 mM
3,7-dihydroxy-flavone
-
IC50: 10 microM
3-(2,4-dichlorophenoxy)-6-methoxypyridin-2(1H)-one
-
-
3-(2,6-dichlorobenzyl)-1,2-dimethyl-4-pyridone
3-(2,6-dichlorobenzyl)-1-(4-nitrobenzyl)-2-methyl-4-pyridone
3-(2,6-dichlorobenzyl)-1-(5-hydroxypentyl)-2-methyl-4-pyridone
3-(2,6-dichlorobenzyl)-1-furfuryl-2-methyl-4-pyridone
3-(2,6-dichlorobenzyl)-2-methyl-1-(2-methyl-2-[[3-(trifluoromethyl)benzyl]sulfanyl]propyl)pyridin-4(1H)-one
-
-
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
3-(2-chlorophenoxy)-6-methoxypyridin-2(1H)-one
-
-
3-(2-hydroxy-4-propylphenoxy)benzoic acid
B0Q840
-
3-(2-hydroxy-4-propylphenoxy)benzoic acid methylester
B0Q840
-
3-(3-hydroxy-4-phenoxyphenyl)propane-1,2-diol
B0Q840
-
3-benzyl-6-(benzyloxy)pyridin-2(1H)-one
-
-
3-bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide
-
competitive kinetics with cofactor NADH and uncompetitive kinetics with the substrate crotonyl-CoA
3-bromo-N-[4-(trifluoromethyl)benzyl]-1-benzothiophene-2-carboxamide
-
competitive kinetics with cofactor NADH and uncompetitive kinetics with the substrate crotonyl-CoA
3-chloro-4-(2,6-dihydroxy-4-propylphenoxy)benzoic acid
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzamide
B0Q840
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
3-chloro-4-(2-hydroxy-4-pyridin-2-ylphenoxy)benzonitrile
-
-
3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile
-
-
3-chloro-4-(2-hydroxy-6-methoxy-4-propylphenoxy)benzonitrile
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-hydroxybenzamide
-
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzaldehyde
-
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide
-
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
-
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile
-
-
3-chloro-4-[(3-hydroxy-2'-methylbiphenyl-4-yl)oxy]benzonitrile
-
-
3-chloro-4-[2-hydroxy-4-(pyridin-4-ylmethyl)phenoxy]benzonitrile
-
-
3-cyclohexylmethyl-1-benzyl-2-methyl-4-pyridone
3-formyl-2-phenoxy phenol
3-hydroxy-4-phenoxy benzoic acid
3-hydroxy-4-phenoxy benzyl alcohol
3-hydroxy-4-phenoxybenzaldehyde
-
IC50 for Plasmodium falciparum in culture 0.077 mM
3-[(4-methylcyclohexyl)sulfamoyl]-N-(4-methylphenyl)benzamide
-
49% residual activity at 0.05 mM
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-6H-benzo[c]chromen-6-one
-
9% residual activity at 0.05 mM
3-[2-(4-bromophenyl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
-
53% residual activity at 0.05 mM
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]acrylic acid methylester
B0Q840
-
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid
B0Q840
-
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid methylester
B0Q840
-
3-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]pyridine
B0Q840
-
3-[5-[(Z)-[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
-
-
4,4'-dichloro-2-hydroxydiphenyl ether
diclosan
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol
-
-
4-(2,4-dichlorophenoxy)-3'-methylbiphenyl-3-ol
-
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
-
IC50 for Plasmodium falciparum in culture 0.021 mM
4-(2,4-dichlorophenoxy)-3-hydroxybenzamide
-
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid
-
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
-
-
4-(2,4-dichlorophenoxy)-4'-fluorobiphenyl-3-ol
-
-
4-(2,4-dichlorophenoxy)-4'-methylbiphenyl-3-ol
-
-
4-(2,4-dichlorophenoxy)biphenyl-3-ol
-
-
4-(2,6-dihydroxy-4-propylphenoxy)benzamide
-
4-(2,6-dihydroxy-4-propylphenoxy)benzonitrile
-
4-(4-chloro-2-hydroxyphenoxy)-1-(4-methylphenylsulphonamido)benzene
B0Q840
-
4-(4-hydroxyphenoxy)benzene-1,3-diol
-
4-(4-hydroxyphenyl)-phenol
-
uncompetitive inhibition
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine
-
-
4-(cyclohexylmethyl)-1-[(3-methylphenyl)carbonyl]piperidine
-
-
4-(cyclohexylmethyl)-1-[(4-methylphenyl)carbonyl]piperidine
-
-
4-([4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
-
-
4-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
-
-
4-([[1-(2-chlorobenzyl)-2-oxo-1,2-dihydropyridin-4-yl]oxy]methyl)benzonitrile
-
-
4-acetoxyanthecotulide
-
moderate inhibition
4-bromo-N-(4-chlorophenyl)-3-(phenylsulfamoyl)benzamide
-
46% residual activity at 0.05 mM
4-bromo-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
-
17% residual activity at 0.05 mM
4-bromo-N-[4-(trifluoromethyl)phenyl]benzamide
-
49% residual activity at 0.05 mM
4-chloro-1-(4-chloro-2-methoxyphenoxy)-2-nitrobenzene
-
-
4-hydroxy-1-(4-hydroxybenzyl)pyridin-2(1H)-one
-
; less than 30% inhibition at 0.1 mM
4-hydroxy-1-(4-methoxybenzyl)pyridin-2(1H)-one
-
; less than 30% inhibition at 0.1 mM
4-hydroxyanthecotulide
-
moderate inhibition
4-hydroxymercuribenzoate
-
-
4-phenoxybenzamide adenine dinucleotide
-
NAD analogue which mimics isoniazid-NAD adduct
4-phenoxybenzene-1,3-diol
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
4-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
-
-
4-[2-[(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanyl]ethyl]benzoic acid
-
-
4-[3-(1H-benzotriazol-1-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzamide
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoic acid
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
4-[3-(9H-carbazol-9-yl)propoxy]-1-(4-methoxybenzyl)pyridin-2(1H)-one
-
-
4-[4-[(benzylamino)methyl]-2-hydroxyphenoxy]-3-chlorobenzonitrile
-
predicted inhibitor, based on in-silico screening
4-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-4-oxobutanoic acid
-
-
-
4-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-4-oxobutanoic acid
-
-
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzamide
-
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
-
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzonitrile
-
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzamide
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzoic acid
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzonitrile
-
5-(2-chlorophenoxy)-2-methoxypyridine 1-oxide
-
; less than 30% inhibition at 0.1 mM
5-(benzylaminomethyl)-2-phenoxyphenol
B0Q840
-
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
-
-
5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole
-
-
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-benzyl-2-(2,4-dichlorophenoxy)phenol
-
-
5-butyl-2-(2,4-dichlorophenoxy)phenol
-
-
5-chloro-2-(2,4-dichloro-phenoxy)phenol
-
trivial name triclosan, slow, tight-binding inhibitor
5-chloro-2-(2,4-dichlorophenoxy)-phenol
-
Triclosan
5-chloro-2-(2,4-dichlorophenoxy)phenol
5-chloro-2-(2,4-dichlorophenoxy)phenyl 2,2-dimethylpropanoate
-
5-chloro-2-(2,4-dichlorophenoxy)pyridine 1-oxide
-
-
5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol
-
-
5-chloro-2-(2-chloro-4-morpholin-4-ylphenoxy)phenol
-
-
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
5-chloro-2-(2-chloro-4-piperidin-1-ylphenoxy)phenol
-
-
5-chloro-2-(2-chloro-4-pyrrolidin-1-ylphenoxy)phenol
-
-
5-chloro-2-(2-nitrophenoxy)phenol
5-chloro-2-(2-[[(2-phenylethyl)amino]methyl]phenoxy)phenol
-
-
5-chloro-2-(2-[[(4-chlorobenzyl)amino]methyl]phenoxy)phenol
-
-
5-chloro-2-(4'-chloro-2'-nitro-phenoxy)-phenol
-
inhibits the parasite growth
5-chloro-2-(4-chloro-2-methoxyphenoxy)aniline
-
-
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)(methyl)amino]-1-methylethyl]phenoxy)phenol
-
-
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)amino]-1-methylethyl]phenoxy)phenol
-
-
5-chloro-2-(4-chloro-2-[[(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenoxy)phenol
-
-
5-chloro-2-(4-chloro-2-[[(4-chlorobenzyl)(methyl)amino]methyl]phenoxy)phenol
-
-
5-chloro-2-(4-hydroxyphenoxy)phenol
5-chloro-2-(4-nitrophenoxy)phenol
5-chloro-2-(pyrazin-2-yloxy)phenol
-
5-chloro-2-(pyridin-3-yloxy)phenol
-
5-chloro-2-phenoxyaniline
5-chloro-2-phenoxyphenol
5-chloro-2-phenoxyphenylmethanol
B0Q840
-
5-chloro-2-[2-chloro-4-(1H-tetrazol-5-yl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(dimethylamino)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(hydroxymethyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(methylamino)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(morpholin-4-ylcarbonyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(naphthalen-1-ylsulfonyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-[(trifluoromethyl)sulfonyl]phenoxy]phenol
-
-
5-chloro-2-[2-[(naphthalen-1-ylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[2-[(naphthalen-2-ylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-(prop-1-en-2-ylamino)phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-[(4-phenylpiperazin-1-yl)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-[(dimethylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-[(methylamino)methyl]phenoxy]phenol
-
-
5-cyclohexyl-2-[2-(methylamino)-4-propylphenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-ethyl-2(2-hydroxyphenoxy)phenol
-
-
5-ethyl-2-phenoxyphenol
minimal inhibitory concentration for Burkholderia pseudomallei growth 70 mg/l
5-fluoro-2-phenoxyphenol
5-hydroxymethyl-2-phenoxyphenol
B0Q840
-
5-methyl-2(2-hydroxyphenoxy)phenol
-
-
5-methyl-2-phenoxyphenol
-
slow binding inhibitor
5-methyl-N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
-
5-nitro-2-phenoxyphenol
B0Q840
-
5-pentyl-2-phenoxyphenol
minimal inhibitory concentration for Burkholderia pseudomallei growth above 250 mg/l
5-propyl-2(2-hydroxyphenoxy)phenol
-
-
5-propyl-2-(3-trifluoromethylphenoxy)phenol
B0Q840
-
5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol
-
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-phenoxybenzamide
-
25% inhibition at 0.7 mM
5-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]pentanoic acid
-
IC50: 0.110 mM
5-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-5-oxopentanoic acid
-
-
-
5-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-5-oxopentanoic acid
-
-
-
5-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-[2-methyl-4-(methylamino)phenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(2-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
6-(benzyloxy)-3-phenoxypyridin-2(1H)-one
-
-
6-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
6-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
6-methyl-2-(propane-1-sulfonyl)-4a,7a-dihydro-2H-thieno[3,2-d][1,2,3]diazaborinin-1-ol
6-[(5Z)-5-([4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl]methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[[3-methoxy-4-(pentyloxy)phenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[[4-(1-methylethyl)phenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[[4-(benzyloxy)-3-methylphenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[(5Z)-5-[[4-(hexyloxy)-3-methoxyphenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
6-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-6-oxohexanoic acid
-
-
-
6-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-6-oxohexanoic acid
-
-
-
9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-N,N-dimethyl-9H-fluoren-2-amine
-
-
acetoacetyl-CoA
-
-
anthecotulide
apigenin
-
IC50: 50 microM
aquastatin A
-
a natural inhibitor from the fungus Sporothrix sp. strain FN611, prevents the growth of Staphylococcus pneumoniae with minimum inhibitory concentration of 0.064-0.128 mg/ml, overview
artesunate
-
-
benzo-diazaborine
-
-
cerulenin
Chloroquine
-
-
CoASH
-
competitive inhibitor with crotonyl CoA as substrate
crotonoyl-CoA
the addition of short-chain crotonoyl-CoA actually inhibits the oxidation of NADH by recombinant ENR in a dose-dependent manner
curcumin
i.e. (E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, an uncompetitive inhibition of FabI, shows antibacterial activity against Escherichia coli, sensitivity is decreased in FabI-overexpressing Escherichia coli
degalactosylated aquastatin A
-
a natural inhibitor from the fungus Sporothrix sp. strain FN611
diazaborane
-
-
-
diazaborine
epigallocatechin gallate
Ethionamide
-
-
ethyl 5-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]isoxazole-3-carboxylate
-
; less than 30% inhibition at 0.1 mM
fisetin
-
IC50: 1 microM
gallocatechin gallate
-
-
genistein
i.e. 4',5,7-trihydroxyisoflavone
Hexachlorophene
-
50% inhibition at 0.0025 mM
imperatorin
i.e. 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
indole
iodoacetamide
iodoacetate
-
-
iridoid aglycone
-
IC50: 40.6 microg/ml, isolated form the extract of Scrophularia lepidota roots
Isoniazid
isorhamnetin
-
IC50: 5 microM
kaempferol
-
IC50: 20 microM
lead compound
-
MIC (microg/mL): 64
-
luteolin
luteolin 7-O-beta-D-glucopyranoside
-
50% inhibition at 0.01mg/ml
methyl 2-[[(1-cyclohexyl-5-oxopyrrolidin-3-yl)carbonyl]amino]benzoate
-
-
methyl 2-[[(1H-benzimidazol-2-ylmethyl)carbamoyl]amino]-1,3-benzothiazole-6-carboxylate
-
AG205
methyl 4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoate
methyl 6-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
methyl 6-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
methyl 6-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
morin
-
IC50: 5 microM
myricetin
-
IC50: 0.4 microM
N'-[(1E)-(5-bromo-2-hydroxyphenyl)methylidene]-4-(piperidin-1-ylsulfonyl)benzohydrazide
-
49% residual activity at 0.05 mM
N'-[(1Z)-(5-chloro-2-hydroxyphenyl)methylidene]-4-(piperidin-1-ylsulfonyl)benzohydrazide
-
24% residual activity at 0.05 mM
N-(3-aminophenyl)-2-(4-nitrophenoxy)acetamide
-
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
-
-
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-chloro-4-fluorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
-
-
N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(4-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfamoyl]benzamide
-
41% residual activity at 0.05 mM
N-(4-chlorobenzyl)-2-[(4-chlorobenzyl)sulfanyl]quinazolin-4-amine
-
-
N-(4-chlorobenzyl)-N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]acetamide
-
-
N-(4-methoxyphenyl)-2-(4-nitrophenoxy)acetamide
-
N-(4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorophenyl)acetamide
-
-
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
-
-
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(5-chloro-2-phenoxyphenyl)-2,2-dimethylpropanamide
-
N-(anthracen-9-ylmethyl)-1-bicyclo[2.2.1]hept-2-yl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(anthracen-9-ylmethyl)-1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(anthracen-9-ylmethyl)-1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(anthracen-9-ylmethyl)-1-cyclooctyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
N-biphenyl-3-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-ethylmaleimide
N-[(1E)-(2-chlorophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
-
N-[(1E)-(2-chlorophenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
-
-
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
-
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
-
-
N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
-
N-[2-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
-
N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-[3-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
N-[4-(benzyloxy)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-[5-(4-chloro-2-hydroxyphenoxy)pyridin-2-yl]acetamide
-
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzamide
-
-
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzenesulfonamide
-
-
N-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]acetamide
-
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide
-
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide
-
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]formamide
-
-
N1-phenylbenzene-1,2,4-triamine
-
Na3[Fe(CN)5(isonicotinic acid hydrazide)]4H2O
-
time dependent inactivation, rate constant value 327/min
NB2001
-
Triclosan prodrug form
p-chloromercuribenzoate
palmitoyl-CoA
-
50% inhibition at 0.0054 mM, competitive inhibition
panosialin A
panosialin B
panosialin wA
panosialin wB
pentacyano (isoniazid)ferrate-II
-
[FeII(CN)5(INH)]3+, slow onset inhibitor
pentacyano(isoniazid)ferrate(II)
-
inhibits both wild-type and isoniazid-resistant I21V mutants of InhA. Inactivation does not require activation by KatG. Compound strongly interacts with InhA, the interactions lead to macromolecular instabilities reflected in the long time necessary for simulation convergence. The instabilities are mainly due to perturbation of the substrate binding loop, particularly the partial denaturation of helices alpha6 and alpha7. The association of the inhibitor with enzyme is very strong in the first 20.0 ns, but becomes very week at the end of the moleculįr dynamics simulation
pentacyano(isoniazid)ferrateII complex
-
Na3[FeII(CN)5(INH)]*3H2O complex
-
Phenylglyoxal
polydatin
i.e. 3,4',5-trihydroxystilbene-3-beta-D-glucopyranoside
pyrrolidine carboxamide
-
IC50: 10.05 microM, chosen as a lead structure for further structure optimization
quercetin
-
IC50: 1.5 microM
sodium (4-[2-[([[5-(pyridin-2-ylsulfanyl)-1,3-thiazol-2-yl]carbamoyl]amino)methyl]-1H-imidazol-4-yl]phenoxy)acetate
-
; competitive inhibitor with respect to NADH and uncompetitive inhibitor with respect to crotonyl-CoA
thienodiazaborine
-
-
thiolactomycin
-
-
trichlorinated biphenylether
triclosan
WYW
-
tripeptide inhibitor, identified using a structure-based approach
[3-(2-hydroxy-4-propylphenoxy)phenyl]boronic acid
-
[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetonitrile
-
-
[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]acetonitrile
-
; less than 30% inhibition at 0.1 mM
[4-[4-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-hydroxyphenoxy]-3-(methylamino)phenyl]methanaminium
-
predicted inhibitor, based on in-silico screening
[5-(3-carbamoyl-4-phenoxyphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
-
12% inhibition at 0.1 mM
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid
-
-
additional information