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
1.3.1.9
-
RECOMMENDED NAME
GeneOntology No.
enoyl-[acyl-carrier-protein] reductase (NADH)
REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT ACCESSION NO.
LITERATURE
an acyl-[acyl-carrier protein] + NAD+ = a 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
detailed kinetic analysis of the sequential bi-bi mechanism with NADH binding first and NAD+ dissociating last. The catalytic tyrosine (Y235) and lysine (K244) residues are organized in the consensus Tyr-(Xaa)8-Lys motif. Both Y235 and K244 are involved in acid-base chemistry during substrate reduction; sequential Bi Bi mechanism with NADH binding first and NAD+ dissociating last
Q62L02
an acyl-[acyl-carrier protein] + NAD+ = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
double displacement mechanism. In this mechanism, a catalytic event occurs after the binding of NADH to free enzyme, generating and releasing NAD+ into solution prior to the binding of crotonoyl-CoA to a modified form of the enzyme, followed by formation of butyryl-CoA and regeneration of free enzyme
-
an acyl-[acyl-carrier protein] + NAD+ = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
detailed kinetic analysis of the sequential bi-bi mechanism with NADH binding first and NAD+ dissociating last. The catalytic tyrosine (Y235) and lysine (K244) residues are organized in the consensus Tyr-(Xaa)8-Lys motif. Both Y235 and K244 are involved in acid-base chemistry during substrate reduction; sequential Bi Bi mechanism with NADH binding first and NAD+ dissociating last
-
-
PATHWAY
KEGG Link
MetaCyc Link
8-amino-7-oxononanoate biosynthesis I
-
cis-dodecenoyl biosynthesis
-
cis-vaccenate biosynthesis
-
Fatty acid biosynthesis
-
fatty acid elongation -- saturated
-
Metabolic pathways
-
palmitate biosynthesis II (bacteria and plants)
-
palmitoleate biosynthesis I
-
stearate biosynthesis II (bacteria and plants)
-
triclosan resistance
-
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].
SYNONYMS
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
2-trans enoyl-acyl carrier protein reductase
-
-
2-trans-enoyl-ACP (CoA) reductase
-
-
BMA0885
Q62L02
-
BMA0885
Q62L02
-
-
bsFabI
P54616
-
cold-shock induced protein 15
-
-
-
-
CSI15
-
-
-
-
EACP reductase
-
-
enoyl (acyl carrier protein) reductase
-
-
enoyl ACP reductase
-
-
enoyl ACP reductase
-
-
enoyl ACP reductase
-
-
enoyl acyl carrier protein reductase
-
-
enoyl acyl carrier protein reductase
-
-
enoyl reductase
-
the enzyme is involved in Type II fatty acid synthesis
enoyl reductase
-
-
enoyl reductase
-
-
enoyl reductase
-
-
enoyl reductase
Q6UCJ9
-
enoyl-ACP reductase
-
-
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
P54616
-
enoyl-ACP reductase
Q62L02
-
enoyl-ACP reductase
Q62L02
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
P0AEK4
-
enoyl-ACP reductase
Escherichia coli MG1655
P0AEK4
-
-
enoyl-ACP reductase
P0A5Y6
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
Staphylococcus aureus RN4220
-
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
Q8DR17
-
enoyl-ACP reductase
Streptococcus pneumoniae KCTC 3932
-
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase I
P54616
-
enoyl-ACP reductase I
Bacillus subtilis 168
P54616
-
-
enoyl-ACP reductase III
-
-
enoyl-ACP reductase III
Bacillus subtilis 168
-
-
-
enoyl-ACP(CoA) reductase
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-acyl carrier protein reductase
Q8DR17
-
enoyl-acyl carrier protein reductase
Streptococcus pneumoniae KCTC 3932
-
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-reductase
-
-
enoyl-[acyl-carrier-protein] reductase
P54616
-
enoyl-[acyl-carrier-protein] reductase
-
-
enoyl-[acyl-carrier-protein] reductase
-
-
enoyl-[acyl-carrier-protein] reductase
-
-
enoyl-[acyl-carrier-protein] reductase
-
-
enoyl-[acyl-carrier-protein] reductase
Q8DR17
-
enoyl-[acyl-carrier-protein] reductase
-
-
ENR
Q6UCJ9
-
FabI
Q81GI3
-
FabI
Bacillus cereus 6A5, Bacillus cereus DSM31
Q81GI3
-
-
FabI
Bacillus subtilis 168
-, P54616
-
-
FabI
Escherichia coli MG1655
P0AEK4
-
-
FabI
Francisella tularensis SCHU S4
-
-
-
FabI
Francisella tularensis SCHU S4
Q5NGQ3
;
-
FabI
Staphylococcus aureus RN4220
-
-
-
FabI-related enoyl-ACP reductase
-
-
FabK
Streptococcus pneumoniae KCTC 3932
-
-
-
Fabl1
Q57EU5
-
Fabl2
Q57A95
-
FabV
Q5E6G3
-
FabV
Q62L02
-
FabV
Q2P9J6
-
FabV
Q8Z9U1
-
FTT_0782
Q5NGQ3
locus name
FTT_0782
Francisella tularensis SCHU S4
Q5NGQ3
locus name
-
NAD-dependent enoyl-ACP reductase
-
-
NADH-dependent enoyl reductase
-
-
NADH-dependent enoyl reductase
-
-
NADH-dependent enoyl-ACP reductase
-
-
-
-
NADH-dependent enoyl-ACP reductase
-
-
NADH-dependent enoyl-acyl carrier protein reductase
-
-
NADH-enoyl acyl carrier protein reductase
-
-
-
-
NADH-ENR
-
-
NADH-specific enoyl-ACP reductase
-
-
-
-
PA2950
Q9HZP8
-
reductase, enoyl-[acyl carrier protein]
-
-
-
-
trans-enoyl-[acyl-carrier-protein] reductase
-
-
VEG241
-
-
-
-
vegetative protein 241
-
-
-
-
VF_0888
Q5E6G3
-
YP_4011
Q8Z9U1
locus name
additional information
Q62L02
the enzyme is a member of the short chain dehydrogenase/reductase superfamily
additional information
Q62L02
the enzyme is a member of the short chain dehydrogenase/reductase superfamily
-
CAS REGISTRY NUMBER
COMMENTARY
37251-08-4
-
ORGANISM
COMMENTARY
LITERATURE
SEQUENCE CODE
SEQUENCE DB
SOURCE
variant Columbia [Col-0]
-
-
Manually annotated by BRENDA team
Bacillus cereus 6A5
-
SwissProt
Manually annotated by BRENDA team
isoform FabI
UniProt
Manually annotated by BRENDA team
strain 168
-
-
Manually annotated by BRENDA team
Bacillus subtilis 168
isoform FabI
UniProt
Manually annotated by BRENDA team
Bacillus subtilis 168
strain 168
-
-
Manually annotated by BRENDA team
mutant A138G
Uniprot
Manually annotated by BRENDA team
isoform Fabl1
UniProt
Manually annotated by BRENDA team
isoform Fabl2
UniProt
Manually annotated by BRENDA team
; gene fabV
UniProt
Manually annotated by BRENDA team
gene fabI
SwissProt
Manually annotated by BRENDA team
strain ATCC 35218
-
-
Manually annotated by BRENDA team
wild type and temperature sensitive mutants
-
-
Manually annotated by BRENDA team
Escherichia coli MG1655
gene fabI
SwissProt
Manually annotated by BRENDA team
Francisella tularensis SCHU S4
-
UniProt
Manually annotated by BRENDA team
Francisella tularensis SCHU S4
-
-
-
Manually annotated by BRENDA team
avocado
-
-
Manually annotated by BRENDA team
var. Viroflay
-
-
Manually annotated by BRENDA team
strain ATCC 29213
-
-
Manually annotated by BRENDA team
strain RN4220
-
-
Manually annotated by BRENDA team
Staphylococcus aureus RN4220
strain RN4220
-
-
Manually annotated by BRENDA team
Streptococcus pneumoniae KCTC 3932
-
-
-
Manually annotated by BRENDA team
strain ATCC 14547
-
-
Manually annotated by BRENDA team
GENERAL INFORMATION
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
malfunction
-, P54616
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
Q62L02
enoyl-ACP reductases catalyze the final step in the elongation cycle of the bacterial fatty acid biosynthesis, FAS-II, pathway, but FabV is distinct and belongs to another class of enoyl-acyl carrier protein reductases, overview
metabolism
-
enoyl-ACP reductases catalyze the final step in the elongation cycle of the bacterial fatty acid biosynthesis, FAS-II, pathway, but FabV is distinct and belongs to another class of enoyl-acyl carrier protein reductases, overview
-
physiological function
-
PfENR reduces the trans-2 enoyl bond of enoyl-ACP substrates to saturated acyl-ACPs and plays a crucial role in completing the successive rounds of fatty acid elongation
physiological function
Q6UCJ9
enoyl reductase, ENR, a type II fatty acid synthase enzyme essential in parasites but not present in host animals
physiological function
Q9HZP8
isoform FabV confers triclosan resistance on Pseudomonas aeruginosa. Upon deletion of the fabV gene, the mutant strain becomes more than 2000fold more sensitive to triclosan than the wild-type strain. Enzyme functionally replaces Escherichia coli fabI in vivo and renders Escherichia coli resistant to triclosan
physiological function
-
fatty acid biosynthesis and FabI activity are essential for growth even in the presence of exogenous long-chain lipids. FabI is not transcriptionally altered in the presence of exogenous long-chain lipids. Inhibition of FabI or fatty acid synthesis results in loss of viability that is not rescued by exogenous long-chain lipid supplementation. FabI and de novo fatty acid biosynthetic genes are transcriptionally active during infection
physiological function
Q57A95, Q57EU5
expression in Escherichia coli restores growth and the fatty acid synthesis of the Escherichia coli fabl temperature sensitive mutant JP1111 under nonpermissive conditions; expression in Escherichia coli restores growth and the fatty acid synthesis of the Escherichia coli fabl temperature sensitive mutant JP1111 under nonpermissive conditions
physiological function
Francisella tularensis SCHU S4
-
fatty acid biosynthesis and FabI activity are essential for growth even in the presence of exogenous long-chain lipids. FabI is not transcriptionally altered in the presence of exogenous long-chain lipids. Inhibition of FabI or fatty acid synthesis results in loss of viability that is not rescued by exogenous long-chain lipid supplementation. FabI and de novo fatty acid biosynthetic genes are transcriptionally active during infection
-
SUBSTRATE
PRODUCT                      
REACTION DIAGRAM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
(2E)-2-dodecenoyl-CoA + NADH + H+
dodecanoyl-CoA + NAD+
show the reaction diagram
Q62L02
-
-
-
?
(2E)-but-2-enoyl-[acyl carrier protein] + NADH + H+
butanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-, P54616
-
-
-
?
2-decenoyl-[acyl-carrier protein] + NADH
decanoyl-[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-hexenoyl-[acyl-carrier protein] + NADH
hexanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
fast reduction
-
-
?
2-octenoyl-[acyl-carrier protein] + NADH
octanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
-
?
2-octenoyl-[acyl-carrier protein] + NADH
octanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
fast reduction
-
-
?
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
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
O24990
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
Bacillus subtilis 168
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
Staphylococcus aureus RN4220
-
-
-
-
?
an acyl-[acyl-carrier protein] + NAD+
a 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
-, P54616
-
-
-
?
crotonyl-CoA + NAD+
?
show the reaction diagram
-
inhibition assay
-
-
?
crotonyl-CoA + NAD+
butyryl-CoA + NADH + H+
show the reaction diagram
-
activity assay
-
-
?
crotonyl-CoA + NAD+
butyryl-CoA + NADH + H+
show the reaction diagram
-
activity assay
-
-
?
crotonyl-CoA + NAD+
butyryl-CoA + NADH + H+
show the reaction diagram
B0Q840, -
activity assay
-
-
?
crotonyl-CoA + NADH
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH
butyryl-CoA + NAD+
show the reaction diagram
-
only reductase I
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
A3R4P1
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
Q2P9J6
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
Q3JQY0
-
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
activity assay
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
activity assay
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
activity assay
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
Q3JQY0
-
-
-
?
crotonyl-CoA + NADPH + H+
butyryl-CoA + NADP+
show the reaction diagram
-
-
-
-
-
crotonyl-CoA + NADPH + H+
butyryl-CoA + NADP+
show the reaction diagram
-
the native enzyme shows very weak activity with NADPH
-
-
?
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
Q62L02
-
-
-
?
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
-
-
-
ir
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
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
butyryl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
activity is 5.9fold higher than with crotonyl-CoA
-
-
?
crotonyl-[acyl-carrier protein] + NADH +
butyryl-[acyl-carrier protein] + NAD+
show the reaction diagram
Q62L02
-
-
-
?
crotonyl-[acyl-carrier protein] + NADH + H+
butyryl-[acyl-carrier protein] + NAD+
show the reaction diagram
Q9HZP8
-
-
-
?
crotonyl-[acyl-carrier-protein] + NADH + H+
butyryl-[acyl-carrier-protein] + NAD+
show the reaction diagram
Q3JQY0
-
-
-
?
dodecenoyl-CoA + NADH + H+
dodecanoyl-CoA + NAD+
show the reaction diagram
A3R4P1
-
-
-
?
enoyl esters of acyl-carrier protein + NADH
?
show the reaction diagram
-
-
-
-
?
enoyl esters of acyl-carrier protein + NADH
?
show the reaction diagram
-
last reductive step in fatty acid biosynthesis
-
-
?
enoyl esters of acyl-carrier protein + NADH
?
show the reaction diagram
-
lipid biosynthesis in plants
-
-
?
S-((2E)-oct-2-enoyl)-N-acetylcysteamine + NADH + H+
S-octanoyl-N-acetylcysteamine + NAD+
show the reaction diagram
-, P54616
-
-
-
?
trans-2,3-dehydracyl-[acyl-carrier protein] + NADH + H+
acyl-[acyl-carrier protein] + 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
P0A5Y6
-
-
-
?
trans-2-decenoyl-CoA + NADH + H+
decanoyl-CoA + NAD+
show the reaction diagram
Q3JQY0
-
-
-
?
trans-2-decenoyl-[acyl-carrier protein] + NADH
decanoyl-[acyl-carrier protein] + 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
decanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
-
?
trans-2-decenoyl-[acyl-carrier protein] + NADH
decanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
syn addition via 2Re, 3Si attack on double bond
-
-
?
trans-2-decenoyl-[acyl-carrier protein] + NADH + H+
decanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
Q9HZP8
-
-
-
?
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
dodecanoyl-CoA + NAD+
show the reaction diagram
-
-
-
-
?
trans-2-dodecenoyl-CoA + NADH + H+
dodecanoyl-CoA + NAD+
show the reaction diagram
Q3JQY0
-
-
-
?
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
Q3JQY0
-
-
-
?
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-carrier protein] + NAD+
show the reaction diagram
Q9BH77
-
-
-
?
trans-but-2-enoyl-[acyl-carrier protein] + NADH
butanoyl-[acyl-carrrier-protein] + NAD+
show the reaction diagram
-
highly selective for NADH
-
-
?
enoyl-ACP + NADH + H+
acyl-ACP + NAD+
show the reaction diagram
-
-
-
-
?
additional information
?
-
-
no reduction of 3-decenoyl-[acyl-carrier-protein]
-
-
-
additional information
?
-
-
enoyl [acyl-carrier-protein] I uses NADH, whereas enoyl [acyl-carrier-protein] II uses NADPH
-
-
-
additional information
?
-
-
also active on enoyl-CoA substrates
-
-
-
additional information
?
-
P80030
reduction of carbon-carbon double bond
-
-
-
additional information
?
-
-
enzyme uses as well NADH as NADPH
-
-
-
additional information
?
-
-
substrate specificity: acyl chain length C4-C16
-
-
-
additional information
?
-
-
substrate specificity: acyl chain length C4-C16
-
-
-
additional information
?
-
A3R4P1
the recombinant ENR expressed in bacteria is only able to oxidize NADH, but unable to transfer the electron to enoyl-CoA, possibly due to the inappropriate folding of ENR expressed in bacteria
-
-
-
additional information
?
-
-
FabK catalyzes the reduction of enoyl-ACPs with the concomitant oxidation of NADH
-
-
-
additional information
?
-
-
the final step of chain elongation in the bacterial fatty acid biosynthesis is the reduction of enoyl-ACP to an acyl-ACP, catalyzed by enoyl-ACP reductase
-
-
-
additional information
?
-
-, P54616
key enzyme in type II fatty-acid synthases that catalyzes the last step in each elongation cycle
-
-
-
additional information
?
-
-
activity detection using trans-2-dodecenyl-CoA and NADH as substrate and cofactor
-
-
-
additional information
?
-
-
activity detection via measurement of NADPH production by reduction of crotonoyl-CoA
-
-
-
additional information
?
-
P0AEK4
activity detection via measurement of NADPH production by reduction of crotonoyl-CoA
-
-
-
additional information
?
-
-
activity measurement by reduction of the trans-2-octenoyl N-acetylcysteamine as substrate and NADH as cofactor
-
-
-
additional information
?
-
Q62L02
activity measurement using NAD+ cofactor and substrate 2-dodecenoyl-CoA
-
-
-
additional information
?
-
Q3JQY0
catalyzes the NADH-dependent reduction of 2-trans-dodecenoyl-CoA via a sequential Bi Bi mechanism
-
-
-
additional information
?
-
Q57A95, Q57EU5
enzyme is active with substrates of all fatty acid chain lengths
-
-
-
additional information
?
-
Q62L02
activity measurement using NAD+ cofactor and substrate 2-dodecenoyl-CoA
-
-
-
additional information
?
-
Q3JQY0
catalyzes the NADH-dependent reduction of 2-trans-dodecenoyl-CoA via a sequential Bi Bi mechanism
-
-
-
additional information
?
-
Streptococcus pneumoniae KCTC 3932
-
activity measurement by reduction of the trans-2-octenoyl N-acetylcysteamine as substrate and NADH as cofactor
-
-
-
additional information
?
-
Escherichia coli MG1655
P0AEK4
activity detection via measurement of NADPH production by reduction of crotonoyl-CoA
-
-
-
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
(Substrate)
LITERATURE
(Substrate)
COMMENTARY
(Product)
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
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
show the reaction diagram
-
-
-
-
?
acyl-[acyl-carrier protein] + NAD+
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
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
-
-
-
-
?
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 esters of acyl-carrier protein + NADH
?
show the reaction diagram
-
last reductive step in fatty acid biosynthesis
-
-
?
enoyl esters of acyl-carrier protein + NADH
?
show the reaction diagram
-
lipid biosynthesis in plants
-
-
?
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
-
-
-
-
?
enoyl-ACP + NADH + H+
acyl-ACP + NAD+
show the reaction diagram
-
-
-
-
?
additional information
?
-
-
FabK catalyzes the reduction of enoyl-ACPs with the concomitant oxidation of NADH
-
-
-
additional information
?
-
-
the final step of chain elongation in the bacterial fatty acid biosynthesis is the reduction of enoyl-ACP to an acyl-ACP, catalyzed by enoyl-ACP reductase
-
-
-
additional information
?
-
-, P54616
key enzyme in type II fatty-acid synthases that catalyzes the last step in each elongation cycle
-
-
-
COFACTOR
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
NAD+
-
dependent
NAD+
-
binding structure, overview
NADH
-
reductase I
NADH
-
reductase I
NADH
-
absolute specificity
NADH
-
absolute specificity
NADH
-
transfer of the pro-S hydrogen of NADH (form B)
NADH
-, P54616
FabI protein; inactive with NADPH
NADH
-
absolute specificity
NADH
-
transfer of the pro-S hydrogen of NADH (form B)
NADH
-
dependent on
NADH
-
shows a very strong preference for NADH over NADPH
NADPH
-
reductase II
NADPH
-, P54616
YgaA protein
additional information
-
no activity with NADPH
-
METALS and IONS
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
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 ACCESSION NO.
COMMENTARY
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
Q6UCJ9
-
(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
-
-
(2E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
Q6UCJ9
-
(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
Q6UCJ9
-
(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
Q6UCJ9
-
(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
Q6UCJ9
-
(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide
Q6UCJ9
-
(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
P54616
-
-
(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
-
0.000025 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
-
0.00006 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.0006 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.00005 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.0004 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.0001 mM, 50% inhibition
(E)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.005 mM, 50% inhibition
(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.00013 mM, 50% inhibition
(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.00005 mM, 50% inhibition
(E)-N-methyl-N-(2-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
0.006 mM, 50% inhibition
(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
-
IC50: 0.0084 mM
1,3-bis(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 32
1,3-dibenzyl-2-methyl-4-pyridone
-
IC50: 0.020 mM
1,3-dibenzyl-2-methyl-4-pyridone
-
MIC (microg/mL): 64
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
Q8Z9U1
competitive
1-(2-chlorobenzyl)-4-[(4-methoxybenzyl)oxy]pyridin-2(1H)-one
Q6UCJ9
-
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-(2-thiophen-2-ylethoxy)pyridin-2(1H)-one
-
CG400549, potent in vitro and in vivo activity against FabI
1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one
Q8Z9U1
competitive
1-(3-chloro-4-nitrophenyl)-1,3-dihydro-2H-benzimidazol-2-one
Q6UCJ9
-
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
-
IC50: 0.00029 mM
1-(4-aminobenzyl)-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 1
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
Q6UCJ9
-
1-(4-nitrobenzyl)-1,3-dihydro-2H-benzimidazol-2-one
Q6UCJ9
-
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
-
IC50: 0.0045 mM
1-benzyl-2-butyl-3-(2,6-dichlorobenzyl)-4-pyridone
-
MIC (microg/ml): 32
1-benzyl-2-methyl-3-(2,4,6-trichlorobenzyl)-4-pyridone
-
IC50: 0.0015 mM
1-benzyl-2-methyl-3-(2,4,6-trichlorobenzyl)-4-pyridone
-
MIC (microg/ml): 8
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
-
IC50: 0.0020 mM
1-benzyl-3-(2,4-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 32
1-benzyl-3-(2,6-dichlorobenzyl)-2-ethyl-4-pyridone
-
IC50: 0.00078 mM
1-benzyl-3-(2,6-dichlorobenzyl)-2-ethyl-4-pyridone
-
MIC (microg/ml): 8
1-benzyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00030 mM
1-benzyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 0.5
1-benzyl-3-(2,6-difluorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0027 mM
1-benzyl-3-(2,6-difluorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 4
1-benzyl-3-(2,6-dimethylbenzyl)-2-methyl-4-pyridone
-
IC50: 0.0043 mM
1-benzyl-3-(2,6-dimethylbenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 16
1-benzyl-3-(2-chloro-6-fluorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00039 mM
1-benzyl-3-(2-chloro-6-fluorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 2
1-benzyl-3-(2-chlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0042 mM
1-benzyl-3-(2-chlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/mL): 64
1-benzyl-3-butyl-2-methyl-4-pyridone
-
IC50: 0.061 mM
1-benzyl-3-butyl-2-methyl-4-pyridone
-
MIC (microg/ml): higher than 128
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
-
IC50: 0.00031 mM
1-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 2
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
-
IC50: 0.00022 mM
1-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 0.25
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
-
IC50: 0.00022 mM
1-decyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 32
1-ethoxy-1-oxopropan-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Q6UCJ9
-
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
Q6UCJ9
-
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
B0Q840, -
-
2-(2,4-dinitrophenoxy)-5-propylphenol
Q6UCJ9
-
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
B0Q840, -
-
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
Q6UCJ9
-
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
Q6UCJ9
-
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
B0Q840, -
-
2-(3-nitrophenoxy)-5-propylphenol
Q6UCJ9
-
2-(4-amino-2-chlorophenoxy)-5-chlorophenol
-
-
2-(4-aminophenoxy)-5-chlorophenol
B0Q840, -
-
2-(4-aminophenoxy)-5-propylphenol
B0Q840, -
-
2-(4-aminophenoxy)-5-propylphenol
Q6UCJ9
-
2-(4-methanesulfinylphenoxy)-5-propylphenol
B0Q840, -
-
2-(4-methanesulfonylphenoxy)-5-propylphenol
B0Q840, -
-
2-(4-methylsulfanylphenoxy)-5-propylphenol
B0Q840, -
-
2-(4-nitrophenoxy)-5-propylphenol
B0Q840, -
-
2-(4-nitrophenoxy)-5-propylphenol
Q6UCJ9
-
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
B0Q840, -
-
2-(biphenyl-4-yloxy)-5-chlorophenol
Q6UCJ9
-
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
Q6UCJ9
-
2-phenoxy-5-propylphenol
B0Q840, -
-
2-phenoxy-5-propylphenol
Q3JQY0
minimal inhibitory concentration for Burkholderia pseudomallei growth above 250 mg/l
2-phenoxyphenol
-
noncompetitive inhibition
2-phenoxyphenol
-
PP, dissociation constant of the inhibitor from the enzyme-NAD+ product complex: 0.5 microM
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
Q6UCJ9
-
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
-
IC50: 0.011 mM
3-(2,6-dichlorobenzyl)-1,2-dimethyl-4-pyridone
-
MIC (microg/ml): higher than 128
3-(2,6-dichlorobenzyl)-1-(4-nitrobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0018 mM
3-(2,6-dichlorobenzyl)-1-(4-nitrobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 16
3-(2,6-dichlorobenzyl)-1-(5-hydroxypentyl)-2-methyl-4-pyridone
-
IC50: 0.0018 mM
3-(2,6-dichlorobenzyl)-1-(5-hydroxypentyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 8
3-(2,6-dichlorobenzyl)-1-furfuryl-2-methyl-4-pyridone
-
IC50: 0.00047 mM
3-(2,6-dichlorobenzyl)-1-furfuryl-2-methyl-4-pyridone
-
MIC (microg/ml): 2
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
-
IC50: 0.120 mM
3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): higher than 64
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
Q6UCJ9
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzamide
B0Q840, -
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
B0Q840, -
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
Q6UCJ9
crystal and binding structure determination, overview
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
Q6UCJ9
-
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
-
IC50: 0.00040 mM
3-cyclohexylmethyl-1-benzyl-2-methyl-4-pyridone
-
MIC (microg/ml): 32
3-formyl-2-phenoxy phenol
-
inhibitory activity with recombinant purified protein, IC50: 0.00130 mM; inhibitory activity with recombinant purified protein, inhibitory activity on cultures of Escherichia coli, IC50: 0.00200 mM
3-formyl-2-phenoxy phenol
-
inhibitory activity with recombinant purified protein, inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.07708 mM; inhibitory activity with recombinant purified protein, inhibitory activity with recombinant purified protein, IC50: 0.00028 mM
3-hydroxy-4-phenoxy benzoic acid
-
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
3-hydroxy-4-phenoxy benzoic acid
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.79627 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
3-hydroxy-4-phenoxy benzyl alcohol
-
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
3-hydroxy-4-phenoxy benzyl alcohol
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.08524 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
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
O24990
diclosan
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.01434 mM; inhibitory activity with recombinant purified protein, IC50: 0.00183 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02084 mM; inhibitory activity with recombinant purified protein, IC50: 0.00038 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.01916 mM; inhibitory activity with recombinant purified protein, IC50: 0.00225 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.16072 mM; inhibitory activity with recombinant purified protein, IC50: 0.00056 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.04004 mM; inhibitory activity with recombinant purified protein, IC50: 0.00383 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.01480 mM; inhibitory activity with recombinant purified protein, IC50: 0.00080 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.01845 mM; inhibitory activity with recombinant purified protein, IC50: 0.00570 mM
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02549 mM; inhibitory activity with recombinant purified protein, IC50: 0.00070 mM
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.03471 mM; inhibitory activity with recombinant purified protein, IC50: 0.07459 mM
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity with recombinant purified protein, IC50: 0.08457 mM
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
Q6UCJ9
-
4-(2,6-dihydroxy-4-propylphenoxy)benzonitrile
Q6UCJ9
-
4-(4-chloro-2-hydroxyphenoxy)-1-(4-methylphenylsulphonamido)benzene
B0Q840, -
-
4-(4-hydroxyphenoxy)benzene-1,3-diol
Q6UCJ9
-
4-(4-hydroxyphenyl)-phenol
-
uncompetitive inhibition
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
-
-
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
Q6UCJ9
-
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
Q6UCJ9
-
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
B0Q840, -
-
4-phenoxybenzene-1,3-diol
Q6UCJ9
-
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
-
IC50: 0.0025 mM
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzamide
-
MIC (microg/ml): 32
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoic acid
-
IC50: 0.022 mM
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoic acid
-
MIC (microg/ml): higher than 128
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
Q6UCJ9
-
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
Q6UCJ9
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzoic acid
Q6UCJ9
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzonitrile
Q6UCJ9
-
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
-
Triclosan
5-chloro-2-(2,4-dichlorophenoxy)phenol
-
-
5-chloro-2-(2,4-dichlorophenoxy)phenol
Q6UCJ9
-
5-chloro-2-(2,4-dichlorophenoxy)phenyl 2,2-dimethylpropanoate
Q6UCJ9
-
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
B0Q840, -
-
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
B0Q840, -
-
5-chloro-2-(2-nitrophenoxy)phenol
Q6UCJ9
-
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
B0Q840, -
-
5-chloro-2-(4-hydroxyphenoxy)phenol
Q6UCJ9
-
5-chloro-2-(4-nitrophenoxy)phenol
B0Q840, -
-
5-chloro-2-(4-nitrophenoxy)phenol
Q6UCJ9
-
5-chloro-2-(pyrazin-2-yloxy)phenol
Q6UCJ9
-
5-chloro-2-(pyridin-3-yloxy)phenol
Q6UCJ9
-
5-chloro-2-phenoxyaniline
B0Q840, -
-
5-chloro-2-phenoxyaniline
Q6UCJ9
-
5-chloro-2-phenoxyphenol
-
slow binding inhibitor
5-chloro-2-phenoxyphenol
-
Triclosan derivative
5-chloro-2-phenoxyphenol
-
CPP, dissociation constant of the inhibitor from the enzyme-NAD+ product complex: 1.1 pM
5-chloro-2-phenoxyphenol
B0Q840, -
-
5-chloro-2-phenoxyphenol
Q6UCJ9
-
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
Q3JQY0
minimal inhibitory concentration for Burkholderia pseudomallei growth 70 mg/l
5-fluoro-2-phenoxyphenol
-
slow binding inhibitor
5-fluoro-2-phenoxyphenol
-
FPP, dissociation constant of the inhibitor from the enzyme-NAD+ product complex: 1.5 nM
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
Q3JQY0
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
Q6UCJ9
-
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
-
IC50: 0.00038 mM
6-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 8
6-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00029 mM
6-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
MIC (microg/ml): 2
6-methyl-2-(propane-1-sulfonyl)-4a,7a-dihydro-2H-thieno[3,2-d][1,2,3]diazaborinin-1-ol
-
diazaborine derviative 2b18, 90% loss of NADH-dependent activity, 50% loss of NADPH-dependent activity at 0.52 mM
6-methyl-2-(propane-1-sulfonyl)-4a,7a-dihydro-2H-thieno[3,2-d][1,2,3]diazaborinin-1-ol
P80030
-
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
-
moderate inhibition
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
benzo-diazaborine
-
-
CoASH
-
competitive inhibitor with crotonyl CoA as substrate
crotonoyl-CoA
A3R4P1
the addition of short-chain crotonoyl-CoA actually inhibits the oxidation of NADH by recombinant ENR in a dose-dependent manner
curcumin
P0AEK4
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
-
0.019 mM, 50% inhibition of wild-type FabI1, 0.25 mM, 50% inhibition of P155Q mutant FabI1
epigallocatechin gallate
-
-
epigallocatechin gallate
-
-
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
P0AEK4
i.e. 4',5,7-trihydroxyisoflavone
Hexachlorophene
-
50% inhibition at 0.0025 mM
imperatorin
P0AEK4
i.e. 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
iodoacetamide
-
-
iodoacetamide
-
no inhibition at 10 mM
iodoacetate
-
-
iridoid aglycone
-
IC50: 40.6 microg/ml, isolated form the extract of Scrophularia lepidota roots
Isoniazid
-
INH, isonicotinic acid hydrazide
Isoniazid
O24990
-
Isoniazid
-
inhibition involves a covalent attachment of the activated form of the drug to the nicotinamide ring of NADH
isorhamnetin
-
IC50: 5 microM
kaempferol
-
IC50: 20 microM
lead compound
-
MIC (microg/mL): 64
-
luteolin
-
IC50: 2 microM
luteolin
P0AEK4
i.e. 3',4',5,7-tetrahydroxyflavone, uncompetitive inhibition of FabI, sensitivity is decreased in FabI-overexpressing Escherichia coli
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
-
IC50: 0.00030 mM
methyl 4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoate
-
MIC (microg/ml): higher than 128
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
-
-
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
Q6UCJ9
-
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
Q6UCJ9
-
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
Q6UCJ9
-
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
-
not
N-ethylmaleimide
-
-
N-ethylmaleimide
-
no inhibition at 1 mM, 97% inhibition at 10 mM, inhibition can be partially reversed by dithiothreitol
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
Q6UCJ9
-
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
B0Q840, -
-
N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
Q6UCJ9
-
N-[4-(benzyloxy)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-[5-(4-chloro-2-hydroxyphenoxy)pyridin-2-yl]acetamide
Q6UCJ9
-
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
Q6UCJ9
-
Na3[Fe(CN)5(isonicotinic acid hydrazide)]4H2O
-
time dependent inactivation, rate constant value 327/min
NB2001
-
Triclosan prodrug form
p-chloromercuribenzoate
-
87% inhibition at 0.1 mM
p-chloromercuribenzoate
-
complete inhibition at 0.1 mM, inhibition can be prevented by preincubation with crotonyl-CoA
palmitoyl-CoA
-
50% inhibition at 0.0054 mM, competitive inhibition
panosialin A
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin B
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin wA
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
panosialin wB
-
acylbenzenediol sulfate metabolites from Streptomyces sp. AN1761, potently inhibits bacterial enoyl-ACP reductases of Staphylococcus aureus, Streptococcus pneumoniae, and Mycobacterium tuberculosis
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 moleculr dynamics simulation
-
pentacyano(isoniazid)ferrateII complex
-
Na3[FeII(CN)5(INH)]*3H2O complex
-
Phenylglyoxal
-
preincubation with NADH prevents whereas NADPH increases the inhibition
Phenylglyoxal
-
98% inhibition at 4.8 mM within 30 min, reversible inhibition by binding at the active site, inhibition is prevented by CoA, ADP, AMP
polydatin
P0AEK4
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
-
-
trichlorinated biphenylether
-
TCL
-
triclosan
-, P54616
a slow-binding inhibitor of bsFabI and formed a stable bsFabI-NAD+-triclosan ternary complex
triclosan
-
0.01 mM, 50% inhibition of wild-type FabI1, 0.15 mM, 50% inhibition of P155Q mutant FabI1
triclosan
-
increase in inhibition in the presence of NAD+ due to the movement of the substrate-binding loop
triclosan
-
0.00007 mM, 50% inhibition
triclosan
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.00075 mM; inhibitory activity with recombinant purified protein, IC50: 2.01
triclosan
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.00080 mM; inhibitory activity with recombinant purified protein, IC50: 0.00020 mM
triclosan
-
IC50: 0.00051 mM
triclosan
-
MIC (microg/ml): 0.125
triclosan
-
0.2% residual activity at 0.05 mM
triclosan
-
; potent inhibitor
triclosan
A3R4P1
-
triclosan
-
uncompetitive inhibitor
triclosan
-
potent inhibitor
triclosan
O24990
-
triclosan
-
triclosan lowers the Ki of epigallocatechin gallate
triclosan
B0Q840, -
-
triclosan
Q62L02
a rapid, reversible inhibitor of bmFabV, and a competitive inhibitor with respect to NADH and an uncompetitive inhibitor with respect to the substrate 2-dodecenoyl-CoA. Triclosan binds to the enzyme-NAD+ product complex which is in rapid and reversible equilibrium with other intermediates on the reaction pathway; competitive inhibitor with respect to NADH and an uncompetitive inhibitor with respect to the substrate 2-dodecenoyl-CoA
triclosan
-
37% inhibition at 0.03 mM
triclosan
-
competitive with NADH, uncompetitive with NAD+
triclosan
Q3JQY0
minimal inhibitory concentration for Burkholderia pseudomallei growth 30 mg/l
triclosan
Q8Z9U1
-
WYW
-
tripeptide inhibitor, identified using a structure-based approach
[3-(2-hydroxy-4-propylphenoxy)phenyl]boronic acid
Q6UCJ9
-
[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]
-, P54616
50% inhibition at 0.016 mM, builds a stable complex with FabI and NAD+, but inhibition of YgaA is reversible
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
-
i.e. triclosan, concentration required for 50% inhibition approximates to 50% of the enzyme concentration, competitive with respect to NADH, uncompetitive with respect to NAD+, inhibition is reversible and promoted by NAD+
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
-
-
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
-
50% inhibition at 0.0001 mM in the presence of NAD+, 50% inhibition at 0.0024 mM in the absence of NAD+
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
-
competitive with respect to NADH, uncompetitive with respect to NAD+
[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid
-
-
methyl 6-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
additional information
-
not inhibitory: arsenite
-
additional information
-
the enzyme is very resistant to triclosan
-
additional information
-
not inhibited by anthecotulide, 4-hydroxyanthecotulide, and 4-acetoxyanthecotulide
-
additional information
-
not inhibited by 4-hydroxyanthecotulide and 4-acetoxyanthecotulide
-
additional information
P0AEK4
MMIC50 values of the natural inhibitors, overview
-
additional information
-
structure-based approach for development of 2'-substituted analogues of triclosan as enzyme inhibitors, binding energies and IC50 in culture, overview
-
additional information
Q6UCJ9
drug design, synthesis, and evaluation of the compounds concerning antiparasite activity and toxicity to host cells, overview
-
ACTIVATING COMPOUND
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
manganese(III) diphosphate
-
activated through oxidation by manganese(III) diphosphate
N-ethylmaleimide
-
stimulation
NaCl
Q62L02
optimal oionic strength 0.62 mM
KM VALUE [mM]
KM VALUE [mM] Maximum
SUBSTRATE
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
0.0022
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant Y235S, pH 7.9, 25C
0.0027
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant Y235A, pH 7.9, 25C
0.0044
-
(2E)-2-dodecenoyl-CoA
Q62L02
wild-type, pH 7.9, 25C
0.0072
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant K244A, pH 7.9, 25C
0.0075
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant K244R, pH 7.9, 25C
0.028
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant K245M, pH 7.9, 25C
0.003
-
2-Decenoyl-[acyl-carrier protein]
-
reductase I
0.00552
-
2-Decenoyl-[acyl-carrier protein]
-
-
0.007
-
2-Decenoyl-[acyl-carrier protein]
-
reductase I
0.014
-
2-Decenoyl-[acyl-carrier protein]
-
reductase I
0.0029
-
2-hexadecenoyl-[acyl-carrier protein]
-
-
0.0062
-
2-hexenoyl-[acyl-carrier protein]
-
-
0.0133
-
2-octenoyl-[acyl-carrier protein]
-
-
0.007
-
crotonyl-CoA
-
-
0.04
-
crotonyl-CoA
-
in 100 mM sodium phosphate (pH 7.5)
0.063
-
crotonyl-CoA
-
pH 7.5, 25C
0.165
-
crotonyl-CoA
-
-
0.178
-
crotonyl-CoA
-
-
0.188
-
crotonyl-CoA
Q3JQY0
pH 6.8, 25C
0.288
-
crotonyl-CoA
-
in 10 mM sodium phosphate, pH 7.2, at 25C
0.293
-
crotonyl-CoA
Q2P9J6
pH 7.5, 25C
0.667
-
crotonyl-CoA
-
reductase I
1.178
-
crotonyl-CoA
-
native enzyme, in 0.1 M sodium phosphate buffer (pH 7)
2.5
-
crotonyl-CoA
-
-
4
-
crotonyl-CoA
-
-
1.61
-
Crotonyl-N-acetyl-cysteamine
-
-
0.001
-
crotonyl-[acyl-carrier protein]
-
Km is 0.001mM or less
0.0014
0.0017
crotonyl-[acyl-carrier protein]
-
reductase I
0.0014
0.0017
crotonyl-[acyl-carrier protein]
-
-
0.0014
-
crotonyl-[acyl-carrier protein]
-
reductase I
0.0097
-
crotonyl-[acyl-carrier protein]
-
-
0.02
-
crotonyl-[acyl-carrier protein]
-
-
0.025
-
crotonyl-[acyl-carrier protein]
Q62L02
pH 7.9, 25C
0.195
-
crotonyl-[acyl-carrier protein]
-
native enzyme, in 0.1 M sodium phosphate buffer (pH 7)
0.691
-
crotonyl-[acyl-carrier protein]
Q9HZP8
pH 7.0, temperature not specified in the publication
0.003
-
NADH
-
reductase I
0.0059
-
NADH
-
reductase I
0.006
-
NADH
Q62L02
mutant Y235S, pH 7.9, 25C
0.007
-
NADH
-, P54616
-
0.0076
-
NADH
-
-
0.01
-
NADH
-
25C, pH 8.0, G93V mutant
0.011
-
NADH
-
-
0.0187
-
NADH
Q2P9J6
pH 7.5, 25C
0.02
-
NADH
-
25C, pH 8.0
0.021
-
NADH
-
30C, pH 6.5
0.023
-
NADH
-
30C, pH 6.5, in the presence of 100 mM NH4+
0.023
-
NADH
Q62L02
mutant Y235A, pH 7.9, 25C; wild-type, pH 7.9, 25C
0.028
-
NADH
Q62L02
mutant K245M, pH 7.9, 25C
0.033
-
NADH
Q9BH77
25C, pH 7.4
0.037
-
NADH
-
25C, pH 8.0, F203L mutant
0.051
-
NADH
-
25C, pH 8.0, Y156F mutant
0.053
-
NADH
-
native enzyme, in 0.1 M sodium phosphate buffer (pH 7)
0.056
-
NADH
-
wild type enoyl-ACP reductase
0.06
-
NADH
-
in 100 mM sodium phosphate (pH 7.5)
0.066
-
NADH
Q62L02
mutant K244A, pH 7.9, 25C
0.069
-
NADH
Q62L02
mutant K244R, pH 7.9, 25C
0.085
-
NADH
-
pH 7.5, 25C
0.08832
-
NADH
A3R4P1
recombinant enzyme, in the absence of enoyl-CoA as scosubstrate, in 0.1 mM Tris-HCl buffer (pH 7.2)
0.104
-
NADH
-
I21V mutant enoyl-ACP reductase
0.149
-
NADH
-
I16T mutantwild type enoyl-ACP reductase
0.35
-
NADH
-
25C, pH 8.0, A197M mutant
0.4
-
NADH
-
25C, pH 8.0, M159T mutant
0.003
-
NADPH
-
reductase II
3.043
-
NADPH
-
native enzyme, in 0.1 M sodium phosphate buffer (pH 7)
0.0056
-
trans-2-decenoyl-CoA
Q3JQY0
pH 6.8, 25C
0.007
-
trans-2-Decenoyl-[acyl-carrier protein]
-
-
0.704
-
trans-2-Decenoyl-[acyl-carrier protein]
Q9HZP8
pH 7.0, temperature not specified in the publication
0.0017
-
trans-2-dodecenoyl-CoA
Q3JQY0
pH 6.8, 25C
0.003
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, G93V mutant
0.009
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, A197M mutant
0.029
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, Y156F mutant
0.03
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0
0.035
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, F203L mutant
0.079
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, M159T mutant
0.16
-
trans-2-octenoyl-CoA
Q3JQY0
pH 6.8, 25C
0.009
-
trans-but-2-enoyl-[acyl-carrier protein]
-
30C, pH 6.5, in the presence of 100 mM NH4+
0.16
-
trans-but-2-enoyl-[acyl-carrier protein]
Q9BH77
25C, pH 7.4
1.6
-
trans-but-2-enoyl-[acyl-carrier protein]
-
30C, pH 6.5
0.027
-
crotonyl-[acyl-carrier-protein]
Q3JQY0
pH 6.8, 25C
additional information
-
additional information
-
Km values for NADH in various mutants; Km values in various mutants
-
additional information
-
additional information
Q62L02
Km for NADH of 0.023 mM, a Km for 2-dodecenoyl-CoA of 0.0025 mM, and a kcat of 20.7 s-1. Steady-state kinetics, overview
-
TURNOVER NUMBER [1/s]
TURNOVER NUMBER MAXIMUM[1/s]
SUBSTRATE
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
0.022
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant K244R, pH 7.9, 25C
0.08
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant Y235A, pH 7.9, 25C
0.1
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant Y235S, pH 7.9, 25C
0.18
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant K244A, pH 7.9, 25C
0.3
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant K245M, pH 7.9, 25C
28.8
-
(2E)-2-dodecenoyl-CoA
Q62L02
wild-type, pH 7.9, 25C
0.00278
-
crotonyl CoA
-
-
3.6
-
crotonyl-CoA
Q3JQY0
pH 6.8, 25C
6.2
-
crotonyl-CoA
-
pH 7.5, 25C
22.25
-
crotonyl-CoA
Q2P9J6
pH 7.5, 25C
5.6
-
trans-2-decenoyl-CoA
Q3JQY0
pH 6.8, 25C
0.45
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, M159T mutant
1.75
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, Y156F mutant
5
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, G93V mutant
8.15
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, A197M mutant
8.4
-
trans-2-dodecenoyl-CoA
Q3JQY0
pH 6.8, 25C
10.6
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0, F203L mutant
11.9
-
trans-2-dodecenoyl-CoA
-
25C, pH 8.0
28.3
-
trans-2-octenoyl-CoA
Q3JQY0
pH 6.8, 25C
0.016
-
trans-but-2-enoyl-[acyl-carrier protein]
-
30C, pH 6.5, in the absence of 100 mM NH4+
0.48
-
trans-but-2-enoyl-[acyl-carrier protein]
-
30C, pH 6.5, G95S mutant
0.65
-
trans-but-2-enoyl-[acyl-carrier protein]
-
30C, pH 6.5
1
-
trans-but-2-enoyl-[acyl-carrier protein]
-
30C, pH 6.5, P155Q mutant
1.62
-
trans-but-2-enoyl-[acyl-carrier protein]
Q9BH77
25C, pH 7.4
70
-
trans-but-2-enoyl-[acyl-carrier protein]
-
30C, pH 6.5, in the presence of 100 mM NH4+
4
-
crotonyl-[acyl-carrier-protein]
Q3JQY0
pH 6.8, 25C
additional information
-
additional information
-
Kcat values in various mutants
-
kcat/KM VALUE [1/mMs-1]
kcat/KM VALUE [1/mMs-1] Maximum
SUBSTRATE
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
0.011
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant K245M, pH 7.9, 25C
133192
0.025
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant K244A, pH 7.9, 25C
133192
0.028
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant K244R, pH 7.9, 25C
133192
0.03
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant Y235A, pH 7.9, 25C
133192
0.047
-
(2E)-2-dodecenoyl-CoA
Q62L02
mutant Y235S, pH 7.9, 25C
133192
6.5
-
(2E)-2-dodecenoyl-CoA
Q62L02
wild-type, pH 7.9, 25C
133192
20
-
crotonyl-CoA
Q3JQY0
pH 6.8, 25C
8822
75
-
crotonyl-CoA
Q2P9J6
pH 7.5, 25C
8822
98
-
crotonyl-CoA
-
pH 7.5, 25C
8822
150
-
crotonyl-[acyl-carrier-protein]
Q3JQY0
pH 6.8, 25C
333320
73
-
NADH
-
pH 7.5, 25C
14331
1000
-
trans-2-decenoyl-CoA
Q3JQY0
pH 6.8, 25C
17311
5000
-
trans-2-dodecenoyl-CoA
Q3JQY0
pH 6.8, 25C
17312
183
-
trans-2-octenoyl-CoA
Q3JQY0
pH 6.8, 25C
17319
Ki VALUE [mM]
Ki VALUE [mM] Maximum
INHIBITOR
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
0.000016
-
(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
-
-
0.00017
-
(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
-
-
0.000026
-
(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
-
-
0.000055
-
(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
-
-
0.000071
-
(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
-
-
0.000132
-
(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
-
-
0.00013
-
(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
-
-
0.00033
-
(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
-
-
0.00051
-
(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
-
-
0.00013
-
(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
-
-
0.000136
-
(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
-
-
0.0000018
-
(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
-
-
0.00002
-
(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
-
-
0.000012
-
(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
-
-
0.000067
-
(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
-
-
0.000014
-
(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
-
-
0.000048
-
(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
-
-
0.000017
-
(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
-
-
0.000049
-
(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
-
-
0.000029
-
(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
-
-
0.000043
-
(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
-
-
0.000039
-
(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
-
-
0.00006
-
(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
-
-
0.00003
-
(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
-
-
0.000061
-
(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
-
-
0.000007
-
(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
-
-
0.000025
-
(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
-
-
0.0000024
-
(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
-
-
0.000014
-
(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
-
-
0.000014
-
(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
-
-
0.000026
-
(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
-
-
0.000009
-
(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
-
-
0.000057
-
(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
-
-
0.0000004
-
(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
-
-
0.000048
-
(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
-
-
0.00003
-
(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
-
-
0.0000007
-
(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
-
-
0.000007
-
(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
-
-
0.000026
-
(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
-
-
0.0002
-
(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
-
-
0.00084
-
(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
-
-
0.000024
-
(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
-
-
0.000028
-
(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
-
-
0.000025
-
(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
-
-
0.000031
-
(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
-
-
0.0000023
-
(E)-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
30C, pH 6.5
0.0000043
-
(E)-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
30C, pH 6.5
0.000096
-
2-(2'-amino-4'-chloro-phenoxy)-5-chloro-phenol
-
versus NADP+, pH 7.5, 25C
0.000104
-
2-(2'-amino-4'-chloro-phenoxy)-5-chloro-phenol
-
versus crotonoyl-CoA-[acyl-carrier protein], pH 7.5, 25C
0.0001
-
2-(2-amino-4-chlorophenoxy)-5-chlorophenol
-
pH not specified in the publication, temperature not specified in the publication
0.0136
-
2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methyl phenol
-
in 10 mM sodium phosphate, pH 7.2, at 25C
0.000000022
-
2-(o-tolyloxy)-5-hexylphenol
-
pH 6.8, temperature not specified in the publication
-
0.000018
-
3-bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide
-
substrate NADH, pH not specified in the publication, temperature not specified in the publication
0.000091
-
3-bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide
-
substrate crotonyl-CoA, pH not specified in the publication, temperature not specified in the publication
0.00013
-
3-formyl-2-phenoxy phenol
-
-
0.00062
-
3-formyl-2-phenoxy phenol
-
-
0.00013
-
3-hydroxy-4-phenoxybenzaldehyde
-
pH not specified in the publication, temperature not specified in the publication
0.00018
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
-
-
0.001
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
-
-
0.00021
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
-
-
0.0013
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
-
-
0.00038
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
-
-
0.00185
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
-
-
0.00032
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
-
-
0.00275
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
-
-
0.00018
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
-
pH not specified in the publication, temperature not specified in the publication
0.00004
-
acetoacetyl-CoA
-
(-)-catechin gallate
0.0021
-
acetoacetyl-CoA
-
luteolin
2.4
-
CoASH
-
-
0.015
-
curcumin
P0AEK4
pH 7.5, 22C
0.0084
-
diazaborine
-
30C, pH 6.5
0.03
-
diazaborine
-
30C, pH 6.5, G95S mutant
0.29
-
diazaborine
-
30C, pH 6.5, P155Q mutant
0.0000106
-
epigallocatechin gallate
-
epigallocatechin gallate with triclosan
0.000084
-
epigallocatechin gallate
-
-
0.0001
-
Indole
-
-
0.00015
-
Indole
-
-
0.02
-
palmitoyl-CoA
-
-
0.04
-
pentacyano (isoniazid)ferrate-II
-
pH 7.5, 25C
-
0.000011
-
sodium (4-[2-[([[5-(pyridin-2-ylsulfanyl)-1,3-thiazol-2-yl]carbamoyl]amino)methyl]-1H-imidazol-4-yl]phenoxy)acetate
-
-
0.00000003
-
triclosan
Q9BH77
25C, pH 7.4
0.00000057
-
triclosan
Q9BH77
25C, pH 7.4, A217G mutant
0.0000015
-
triclosan
Q9BH77
25C, pH 7.4, N218D mutant
0.0000021
-
triclosan
Q9BH77
25C, pH 7.4, N218A mutant
0.0000063
-
triclosan
Q9BH77
25C, pH 7.4, F368I mutant
0.0000072
-
triclosan
Q9BH77
25C, pH 7.4, F368A mutant
0.0000093
-
triclosan
Q9BH77
25C, pH 7.4, M281A mutant
0.00001
-
triclosan
Q9BH77
25C, pH 7.4, M281T mutant
0.000025
-
triclosan
-
wild-type, substrate NADH, pH not specified in the publication, temperature not specified in the publication
0.000028
-
triclosan
-
wild-type, substrate NAD+, pH not specified in the publication, temperature not specified in the publication
0.00005
-
triclosan
-
-
0.00009
-
triclosan
-
-
0.00023
-
triclosan
Q9BH77
25C, pH 7.4, A217V mutant
0.0004
-
triclosan
Q62L02
substrate 2-dodecenoyl-CoA, pH 7.9, 25C; versus 2-dodecenoyl-CoA, pH 7.8, 25C
0.00099
-
triclosan
-
-
0.002
-
triclosane
-
30C, pH 6.5
0.008
-
triclosane
-
30C, pH 6.5, G95S mutant
0.18
-
triclosane
-
30C, pH 6.5, P155Q mutant
0.0071
-
luteolin
P0AEK4
pH 7.5, 22C
additional information
-
additional information
Q62L02
inhibition kinetics, overview
-
additional information
-
additional information
P0AEK4
inhibition kinetics, overview
-
additional information
-
additional information
-
inhibition kinetics, overview
-
IC50 VALUE [mM]
IC50 VALUE [mM] Maximum
INHIBITOR
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
IMAGE
0.0003
-
(-)-catechin gallate
-
IC50: 0.3 microM
0.0002
-
(-)-epicatechin gallate
-
IC50: 0.2 microM
0.0002
-
(-)-epigallocatechin gallate
-
IC 50: 0.2 microM
0.0005
-
(-)-gallocatechin gallate
-
IC50: 0.5 microM
0.1
-
(5Z)-3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.1
-
(5Z)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.1
-
(5Z)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.1
-
(5Z)-3-(4-fluorophenyl)-5-[(3-hydroxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.1
-
(5Z)-3-(4-methoxyphenyl)-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.1
-
(5Z)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.1
-
(5Z)-3-(4-methoxyphenyl)-5-[[4-(1-methylethyl)phenyl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.00016
-
(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
-
predicted value, pH not specified in the publication, temperature not specified in the publication
0.05
-
(5Z)-3-[4-(diethylamino)phenyl]-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
0.05
-
(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
insoluble above 0.05 mM
0.025
-
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
0.000035
-
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
-
-
0.1
-
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.01
-
(5Z)-5-[(3-hydroxy-5-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
0.1
-
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.03
-
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
0.09858
-
(5Z)-5-[(4-methoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
insoluble above 0.05 mM
0.00014
-
(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
-
predicted value, pH not specified in the publication, temperature not specified in the publication
0.00017
-
(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
-
predicted value, pH not specified in the publication, temperature not specified in the publication
0.1
-
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.025
-
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
0.1
-
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.00087
-
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
0.006
-
(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
0.035
-
(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
0.00098
-
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
0.1
-
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
-
IC50 above 0.1 mM
0.0061
-
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
0.0285
-
(5Z)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
0.0017
-
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
0.03025
-
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
-
-
0.1
-
(E)-1-benzyl-2-methyl-3-[2-(pyridin-3-yl)vinyl]-4-pyridone
-
IC50: higher than 0.100 mM
0.0084
-
1,3-bis(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0084 mM
0.02
-
1,3-dibenzyl-2-methyl-4-pyridone
-
IC50: 0.020 mM
0.0007
-
1-(2,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
-
pH not specified in the publication, temperature not specified in the publication
0.0015
-
1-(2-chlorobenzyl)-4-(naphthalen-1-ylmethoxy)pyridin-2(1H)-one
-
-
0.0011
-
1-(2-chlorobenzyl)-4-(naphthalen-2-ylmethoxy)pyridin-2(1H)-one
-
-
0.0021
-
1-(2-chlorobenzyl)-4-hexylpyridin-2(1H)-one
Q8Z9U1
pH 6.8, 25C
0.028
-
1-(2-chlorobenzyl)-4-[3-(1H-imidazol-1-yl)propoxy]pyridin-2(1H)-one
-
-
0.0008
-
1-(2-chlorobenzyl)-4-[3-(1H-indol-1-yl)propoxy]pyridin-2(1H)-one
-
-
0.0003
-
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
-
pH not specified in the publication, temperature not specified in the publication
0.0015
-
1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one
Q8Z9U1
pH 6.8, 25C
0.00034
-
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
-
wild type enzyme, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.00034
-
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
-
in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0033
-
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
-
mutant enzyme G93V, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.01387
-
1-(3-chlorocyclohexyl)-4-[(2-fluorophenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00605
-
1-(3-chlorocyclohexyl)-4-[(3,4-dichlorophenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00099
-
1-(3-chlorocyclohexyl)-4-[(3,4-dimethylphenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00673
-
1-(3-chlorocyclohexyl)-4-[(3-chlorophenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00943
-
1-(3-chlorocyclohexyl)-4-[(3-methylphenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00974
-
1-(3-chlorocyclohexyl)-4-[(4-fluorophenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00307
-
1-(3-chlorocyclohexyl)-4-[(4-methylphenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0008
-
1-(4-amino-2-chlorobenzyl)-4-(benzyloxy)pyridin-2(1H)-one
-
-
0.00029
-
1-(4-aminobenzyl)-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00029 mM
0.0003
-
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
-
pH not specified in the publication, temperature not specified in the publication
0.00009
-
1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0004
-
1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0315
-
1-(cyclohexylmethyl)-4-(phenylcarbonyl)piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0045
-
1-benzyl-2-butyl-3-(2,6-dichlorobenzyl)-4-pyridone
-
IC50: 0.0045 mM
0.0015
-
1-benzyl-2-methyl-3-(2,4,6-trichlorobenzyl)-4-pyridone
-
IC50: 0.0015 mM
0.0029
-
1-benzyl-2-methyl-3-phenyl-4-pyridone
-
IC50: 0.0029 mM
0.1
-
1-benzyl-2-methyl-3-vinyl-4-pyridone
-
IC50: higher than 0.100 mM
0.1
-
1-benzyl-2-methyl-3-[2-(pyridin-3-yl)ethyl]-4-pyridone
-
IC50: higher than 0.100 mM
0.002
-
1-benzyl-3-(2,4-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0020 mM
0.00078
-
1-benzyl-3-(2,6-dichlorobenzyl)-2-ethyl-4-pyridone
-
IC50: 0.00078 mM
0.0003
-
1-benzyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00030 mM
0.0027
-
1-benzyl-3-(2,6-difluorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0027 mM
0.0043
-
1-benzyl-3-(2,6-dimethylbenzyl)-2-methyl-4-pyridone
-
IC50: 0.0043 mM
0.00039
-
1-benzyl-3-(2-chloro-6-fluorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00039 mM
0.0042
-
1-benzyl-3-(2-chlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0042 mM
0.061
-
1-benzyl-3-butyl-2-methyl-4-pyridone
-
IC50: 0.061 mM
0.0068
-
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
-
-
0.1
-
1-benzyl-4-hydroxypyridin-2(1H)-one
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
0.1
-
1-benzyl-4-[3-(9H-carbazol-9-yl)propoxy]pyridin-2(1H)-one
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
0.000845
-
1-bicyclo[2.2.1]hept-2-yl-N-biphenyl-3-yl-5-oxopyrrolidine-3-carboxamide
-
-
0.00031
-
1-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00031 mM
0.00036
-
1-cycloheptyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
-
-
0.0051
-
1-cyclohexyl-4-(2,3-dihydro-1H-indol-1-ylcarbonyl)pyrrolidin-2-one
-
-
0.03886
-
1-cyclohexyl-4-(phenylcarbonyl)piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00641
-
1-cyclohexyl-4-([4-[(4-fluorophenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)pyrrolidin-2-one
-
-
0.00518
-
1-cyclohexyl-4-([4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)pyrrolidin-2-one
-
-
0.01762
-
1-cyclohexyl-4-[(3,4-dichlorophenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.01664
-
1-cyclohexyl-4-[(4-methylphenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.01066
-
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
-
-
0.00351
-
1-cyclohexyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
-
-
0.05602
-
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.0565
-
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.01005
-
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.03137
-
1-cyclohexyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.00039
-
1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.00149
-
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.00314
-
1-cyclohexyl-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.000062
-
1-cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-oxopyrrolidine-3-carboxamide
-
best inhibitor of the sreening with an IC50: 62 nanoM
0.01679
-
1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.01059
-
1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.0145
-
1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.00257
-
1-cyclohexyl-N-(9-ethyl-9H-carbazol-2-yl)-5-oxopyrrolidine-3-carboxamide
-
-
0.00139
-
1-cyclohexyl-N-9H-fluoren-4-yl-5-oxopyrrolidine-3-carboxamide
-
-
0.00014
-
1-cyclohexyl-N-[(2'-hydroxy-1,1':3',1''-terphenyl-5'-yl)methyl]-5-oxopyrrolidine-3-carboxamide
-
-
0.00555
-
1-cyclohexyl-N-[3-(1-methylethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
-
-
0.0013
-
1-cyclohexyl-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
-
-
0.00022
-
1-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00022 mM
0.00129
-
1-cyclooctyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
-
-
0.00022
-
1-decyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00022 mM
0.00185
-
1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00774
-
1-[(3-chlorophenyl)carbonyl]-4-(cyclohexylmethyl)piperidine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.01547
-
1-[(3-methylphenyl)carbonyl]-4-(4-nitrocyclohexyl)piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00626
-
1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00017
-
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-phenylethane-1,2-dione
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000057
-
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]propane-1,2-dione
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0008
-
1-[4-(2-hydroxy-4-propylphenoxy)phenyl]ethanone
B0Q840, -
-
0.00034
-
1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00204
-
1-[bis(4-fluorophenyl)methyl]-4-(phenylcarbonyl)piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00189
-
1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)carbonyl]piperazine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00011
-
2-(2'-amino-4'-chloro-phenoxy)-5-chloro-phenol
-
pH 7.5, 25C
0.00012
-
2-(2,4-dichlorophenoxy)-5-(2-ethylbutyl)phenol
-
-
0.00029
-
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
-
-
0.00018
-
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
-
-
0.000076
-
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
-
-
0.1
-
2-(2,4-dichlorophenoxy)-5-(2H-tetrazol-5-yl)phenol
-
-
0.00044
-
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
-
-
0.00064
-
2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
-
-
0.00084
-
2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol
-
-
0.00011
-
2-(2,4-dichlorophenoxy)-5-ethylphenol
-
-
0.0002
-
2-(2,4-dichlorophenoxy)-5-methylphenol
-
-
0.00021
-
2-(2,4-dichlorophenoxy)-5-propylphenol
-
-
0.033
-
2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol
-
-
0.0036
-
2-(2,4-dinitrophenoxy)-5-propylphenol
B0Q840, -
-
0.00011
-
2-(2-amino-4-chlorophenoxy)-5-chlorophenol
-
pH not specified in the publication, temperature not specified in the publication
0.007
-
2-(2-aminophenoxy)-5-chlorophenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0005
-
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
B0Q840, -
-
0.000046
-
2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methyl phenol
-
in 10 mM sodium phosphate, pH 7.2, at 25C
0.0203
-
2-(3-hydroxymethyl-phenoxy)-5-propylphenol
B0Q840, -
-
0.008
-
2-(3-nitrophenoxy)-5-propylphenol
B0Q840, -
larger than 0.008 mM
0.00036
-
2-(4-amino-2-chlorophenoxy)-5-chlorophenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0071
-
2-(4-aminophenoxy)-5-chlorophenol
B0Q840, -
-
0.0088
-
2-(4-aminophenoxy)-5-propylphenol
B0Q840, -
-
0.0036
-
2-(4-methanesulfinylphenoxy)-5-propylphenol
B0Q840, -
-
0.0022
-
2-(4-methanesulfonylphenoxy)-5-propylphenol
B0Q840, -
-
0.0006
-
2-(4-methylsulfanylphenoxy)-5-propylphenol
B0Q840, -
-
0.0011
-
2-(4-nitrophenoxy)-5-propylphenol
B0Q840, -
-
0.000055
-
2-(4-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-hydroxyphenoxy)-5-methylbenzonitrile
-
predicted IC50
0.06
-
2-(5-chlorothiophen-2-yl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]quinoline-4-carboxamide
-
-
0.0005
-
2-(biphenyl-3-yloxy)-5-propylphenol
B0Q840, -
-
0.00625
-
2-(biphenyl-4-yloxy)-5-chlorophenol
B0Q840, -
larger than 0.00625 mM
0.1
-
2-(dimethylamino)ethyl 3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
-
IC50 above 0.1 mM
0.1
-
2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
IC50 above 0.1 mM
0.0000053
-
2-(o-tolyloxy)-5-hexylphenol
-
pH 6.8, temperature not specified in the publication
-
0.0000013
-
2-phenoxy-5-propylphenol
Q3JQY0
pH 6.8, 25C
0.0008
-
2-phenoxy-5-propylphenol
B0Q840, -
larger than 0.0008 mM
0.05
-
2-[(3-chlorophenyl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
-
-
0.01
-
2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.01
-
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.000037
-
2-[2-(dimethylamino)-4-sulfanylphenoxy]-5-[[(2-phenylethyl)amino]methyl]phenol
-
predicted IC50
0.006
-
2-[3-(2-hydroxy-ethyl)phenoxy]-5-propylphenol
B0Q840, -
-
0.003
-
2-[4-(benzylamino)-2-chlorophenoxy]-5-chlorophenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.01
-
3,7-dihydroxy-flavone
-
IC50: 10 microM
0.0237
-
3-(2,4-dichlorophenoxy)-6-methoxypyridin-2(1H)-one
-
-
0.011
-
3-(2,6-dichlorobenzyl)-1,2-dimethyl-4-pyridone
-
IC50: 0.011 mM
0.0018
-
3-(2,6-dichlorobenzyl)-1-(4-nitrobenzyl)-2-methyl-4-pyridone
-
IC50: 0.0018 mM
0.0018
-
3-(2,6-dichlorobenzyl)-1-(5-hydroxypentyl)-2-methyl-4-pyridone
-
IC50: 0.0018 mM
0.00047
-
3-(2,6-dichlorobenzyl)-1-furfuryl-2-methyl-4-pyridone
-
IC50: 0.00047 mM
0.0018
-
3-(2,6-dichlorobenzyl)-2-methyl-1-(2-methyl-2-[[3-(trifluoromethyl)benzyl]sulfanyl]propyl)pyridin-4(1H)-one
-
wild type enzyme, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.00035
-
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
-
in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0004
-
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
-
wild type enzyme, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.038
-
3-(2,6-dichlorobenzyl)-2-methyl-1-(thiophen-2-ylmethyl)pyridin-4(1H)-one
-
mutant enzyme G93V, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.12
-
3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.120 mM
0.0007
-
3-benzyl-6-(benzyloxy)pyridin-2(1H)-one
-
-
0.000115
-
3-bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide
-
pH not specified in the publication, temperature not specified in the publication
0.000463
-
3-bromo-N-[4-(trifluoromethyl)benzyl]-1-benzothiophene-2-carboxamide
-
pH not specified in the publication, temperature not specified in the publication
0.0011
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzamide
B0Q840, -
-
0.0008
-
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
B0Q840, -
larger than 0.008 mM
0.0007
-
3-chloro-4-(2-hydroxy-4-pyridin-2-ylphenoxy)benzonitrile
-
-
0.0028
-
3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile
-
-
0.0012
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-hydroxybenzamide
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00038
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzaldehyde
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00012
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00055
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00056
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00012
-
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00041
-
3-chloro-4-[(3-hydroxy-2'-methylbiphenyl-4-yl)oxy]benzonitrile
-
-
0.00053
-
3-chloro-4-[2-hydroxy-4-(pyridin-4-ylmethyl)phenoxy]benzonitrile
-
-
0.0004
-
3-cyclohexylmethyl-1-benzyl-2-methyl-4-pyridone
-
IC50: 0.00040 mM
0.00028
-
3-formyl-2-phenoxy phenol
-
inhibitory activity with recombinant purified protein, inhibitory activity with recombinant purified protein, IC50: 0.00028 mM
0.0013
-
3-formyl-2-phenoxy phenol
-
inhibitory activity with recombinant purified protein, IC50: 0.00130 mM
0.002
-
3-formyl-2-phenoxy phenol
-
inhibitory activity with recombinant purified protein, inhibitory activity on cultures of Escherichia coli, IC50: 0.00200 mM
0.07708
-
3-formyl-2-phenoxy phenol
-
inhibitory activity with recombinant purified protein, inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.07708 mM
0.1
-
3-hydroxy-4-phenoxy benzoic acid
-
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.1
-
3-hydroxy-4-phenoxy benzoic acid
-
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.79627
-
3-hydroxy-4-phenoxy benzoic acid
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.79627 mM
0.08524
-
3-hydroxy-4-phenoxy benzyl alcohol
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.08524 mM
0.1
-
3-hydroxy-4-phenoxy benzyl alcohol
-
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.1
-
3-hydroxy-4-phenoxy benzyl alcohol
-
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.00028
-
3-hydroxy-4-phenoxybenzaldehyde
-
pH not specified in the publication, temperature not specified in the publication
0.02
-
3-[5-[(Z)-[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
-
-
0.00038
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity with recombinant purified protein, IC50: 0.00038 mM
0.00183
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity with recombinant purified protein, IC50: 0.00183 mM
0.01434
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.01434 mM
0.02084
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02084 mM
0.00056
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity with recombinant purified protein, IC50: 0.00056 mM
0.00225
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity with recombinant purified protein, IC50: 0.00225 mM
0.01916
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.01916 mM
0.16072
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.16072 mM
0.0008
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
-
inhibitory activity with recombinant purified protein, IC50: 0.00080 mM
0.00383
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
-
inhibitory activity with recombinant purified protein, IC50: 0.00383 mM
0.0148
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.01480 mM
0.04004
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.04004 mM
0.0007
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
-
inhibitory activity with recombinant purified protein, IC50: 0.00070 mM
0.0057
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
-
inhibitory activity with recombinant purified protein, IC50: 0.00570 mM
0.01845
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.01845 mM
0.02549
-
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02549 mM
0.03471
-
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.03471 mM
0.07459
-
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity with recombinant purified protein, IC50: 0.07459 mM
0.1
-
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
-
inhibitory activity on cultures of Escherichia coli, IC50: higher than 0.100 mM; inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.08457
-
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity with recombinant purified protein, IC50: 0.08457 mM
0.1
-
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
-
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.00044
-
4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol
-
-
0.00023
-
4-(2,4-dichlorophenoxy)-3'-methylbiphenyl-3-ol
-
-
0.00038
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
-
pH not specified in the publication, temperature not specified in the publication
0.021
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzamide
-
-
0.1
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid
-
-
0.000049
-
4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
-
-
0.000038
-
4-(2,4-dichlorophenoxy)-4'-fluorobiphenyl-3-ol
-
-
0.00019
-
4-(2,4-dichlorophenoxy)-4'-methylbiphenyl-3-ol
-
-
0.00014
-
4-(2,4-dichlorophenoxy)biphenyl-3-ol
-
-
0.012
-
4-(4-chloro-2-hydroxyphenoxy)-1-(4-methylphenylsulphonamido)benzene
B0Q840, -
larger than 0.012 mM
0.0037
-
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
-
-
0.0015
-
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
0.01411
-
4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00739
-
4-(cyclohexylmethyl)-1-[(3-methylphenyl)carbonyl]piperidine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00516
-
4-(cyclohexylmethyl)-1-[(4-methylphenyl)carbonyl]piperidine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00447
-
4-([4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
-
-
0.00551
-
4-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
-
-
0.0027
-
4-([[1-(2-chlorobenzyl)-2-oxo-1,2-dihydropyridin-4-yl]oxy]methyl)benzonitrile
-
-
0.01
-
4-chloro-1-(4-chloro-2-methoxyphenoxy)-2-nitrobenzene
-
pH 7.5, 25C
0.1
-
4-hydroxy-1-(4-hydroxybenzyl)pyridin-2(1H)-one
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
0.1
-
4-hydroxy-1-(4-methoxybenzyl)pyridin-2(1H)-one
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
0.027
-
4-phenoxybenzamide adenine dinucleotide
-
-
0.0063
-
4-phenoxybenzene-1,3-diol
B0Q840, -
-
0.01
-
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.01
-
4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.0125
-
4-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
-
-
0.0016
-
4-[3-(1H-benzotriazol-1-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
0.0025
-
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzamide
-
IC50: 0.0025 mM
0.022
-
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoic acid
-
IC50: 0.022 mM
0.006
-
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
larger than 0.006, inhibitor precipitates at concentrations larger 0.006 mM; the inhibitor precipitates at concentrations above 0.006 mM
0.003
-
4-[3-(9H-carbazol-9-yl)propoxy]-1-(4-methoxybenzyl)pyridin-2(1H)-one
-
larger than 0.003, inhibitor precipitates at concentrations larger 0.003 mM; the inhibitor precipitates at concentrations above 0.003 mM
0.00005
-
4-[4-[(benzylamino)methyl]-2-hydroxyphenoxy]-3-chlorobenzonitrile
-
predicted IC50
0.0224
-
4-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-4-oxobutanoic acid
-
pH 7.5, 25C
-
0.0242
-
4-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-4-oxobutanoic acid
-
pH 7.5, 25C
-
0.0036
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzamide
-
-
0.023
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
-
-
0.0238
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
-
-
0.007
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzonitrile
-
-
0.00053
-
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
-
-
0.00104
-
5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.000013
-
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
predicted IC50
0.000014
-
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
-
predicted IC50
0.000071
-
5-benzyl-2-(2,4-dichlorophenoxy)phenol
-
-
0.00048
-
5-butyl-2-(2,4-dichlorophenoxy)phenol
-
-
0.089
-
5-chloro-2-(2,4-dichlorophenoxy)-phenol
-
in 10 mM sodium phosphate, pH 7.2, at 25C
0.0002
-
5-chloro-2-(2,4-dichlorophenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0214
-
5-chloro-2-(2,4-dichlorophenoxy)pyridine 1-oxide
-
-
0.00022
-
5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0002
-
5-chloro-2-(2-chloro-4-morpholin-4-ylphenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00018
-
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0003
-
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
B0Q840, -
-
0.00068
-
5-chloro-2-(2-chloro-4-piperidin-1-ylphenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00081
-
5-chloro-2-(2-chloro-4-pyrrolidin-1-ylphenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0077
-
5-chloro-2-(2-nitrophenoxy)phenol
B0Q840, -
-
0.0025
-
5-chloro-2-(2-[[(2-phenylethyl)amino]methyl]phenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.035
-
5-chloro-2-(2-[[(4-chlorobenzyl)amino]methyl]phenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000229
-
5-chloro-2-(4'-chloro-2'-nitro-phenoxy)-phenol
-
pH 7.5, 25C
0.015
-
5-chloro-2-(4-chloro-2-methoxyphenoxy)aniline
-
pH 7.5, 25C
0.027
-
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)(methyl)amino]-1-methylethyl]phenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0072
-
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)amino]-1-methylethyl]phenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.009
-
5-chloro-2-(4-chloro-2-[[(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000413
-
5-chloro-2-[2-chloro-4-(1H-tetrazol-5-yl)phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0007
-
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00046
-
5-chloro-2-[2-chloro-4-(dimethylamino)phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0008
-
5-chloro-2-[2-chloro-4-(hydroxymethyl)phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00031
-
5-chloro-2-[2-chloro-4-(methylamino)phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00025
-
5-chloro-2-[2-chloro-4-(morpholin-4-ylcarbonyl)phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00059
-
5-chloro-2-[2-chloro-4-(naphthalen-1-ylsulfonyl)phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00014
-
5-chloro-2-[2-chloro-4-[(trifluoromethyl)sulfonyl]phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.011
-
5-chloro-2-[2-[(naphthalen-1-ylamino)methyl]phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.046
-
5-chloro-2-[2-[(naphthalen-2-ylamino)methyl]phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.02
-
5-chloro-2-[4-chloro-2-(prop-1-en-2-ylamino)phenoxy]phenol
-
pH 7.5, 25C
0.0061
-
5-chloro-2-[4-chloro-2-[(4-phenylpiperazin-1-yl)methyl]phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.019
-
5-chloro-2-[4-chloro-2-[(dimethylamino)methyl]phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.027
-
5-chloro-2-[4-chloro-2-[(methylamino)methyl]phenoxy]phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000022
-
5-cyclohexyl-2-[2-(methylamino)-4-propylphenoxy]phenol
-
predicted IC50
0.01
-
5-methyl-N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.05
-
5-nitro-2-phenoxyphenol
B0Q840, -
larger than 0.050 mM
0.0000018
-
5-pentyl-2-phenoxyphenol
Q3JQY0
pH 6.8, 25C
0.00124
-
5-propyl-2-(3-trifluoromethylphenoxy)phenol
B0Q840, -
-
0.000042
-
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
predicted IC50
0.11
-
5-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]pentanoic acid
-
IC50: 0.110 mM
0.026
-
5-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-5-oxopentanoic acid
-
pH 7.5, 25C
-
0.0286
-
5-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-5-oxopentanoic acid
-
pH 7.5, 25C
-
0.00003
-
5-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-[2-methyl-4-(methylamino)phenoxy]phenol
-
predicted IC50
0.00017
-
5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00012
-
5-[[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00013
-
5-[[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00052
-
5-[[4-(2-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00013
-
5-[[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00013
-
5-[[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00052
-
5-[[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00016
-
5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0007
-
6-(benzyloxy)-3-phenoxypyridin-2(1H)-one
-
-
0.00038
-
6-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00038 mM
0.00029
-
6-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
IC50: 0.00029 mM
0.0065
-
6-[(5Z)-5-([4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl]methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
0.045
-
6-[(5Z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
0.1
-
6-[(5Z)-5-[[3-methoxy-4-(pentyloxy)phenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
IC50 above 0.1 mM
0.1
-
6-[(5Z)-5-[[4-(1-methylethyl)phenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
IC50 above 0.1 mM
0.1
-
6-[(5Z)-5-[[4-(benzyloxy)-3-methylphenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
IC50 above 0.1 mM
0.007
-
6-[(5Z)-5-[[4-(hexyloxy)-3-methoxyphenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
-
-
0.0293
-
6-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-6-oxohexanoic acid
-
pH 7.5, 25C
-
0.0303
-
6-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-6-oxohexanoic acid
-
pH 7.5, 25C
-
0.00091
-
9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-N,N-dimethyl-9H-fluoren-2-amine
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.05
-
apigenin
-
IC50: 50 microM
0.0092
-
aquastatin A
-
FabK, pH 6.5, 30C
0.0000017
-
artesunate
-
control
0.0000087
-
Chloroquine
-
control
0.0106
-
degalactosylated aquastatin A
-
FabI, pH 6.5, 30C
0.0174
-
epigallocatechin gallate
-
in 30 mM PIPES buffer, 150 mM NaCl, 10% glycerol (pH 8.0)
0.1
-
ethyl 5-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]isoxazole-3-carboxylate
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
0.001
-
fisetin
-
IC50: 1 microM
0.005
-
isorhamnetin
-
IC50: 5 microM
0.02
-
kaempferol
-
IC50: 20 microM
0.002
-
luteolin
-
IC50: 2 microM
0.03488
-
methyl 2-[[(1-cyclohexyl-5-oxopyrrolidin-3-yl)carbonyl]amino]benzoate
-
-
0.0003
-
methyl 4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoate
-
IC50: 0.00030 mM
0.1
-
methyl 6-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
IC50 above 0.1 mM
0.1
-
methyl 6-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
IC50 above 0.1 mM
0.1
-
methyl 6-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
IC50 above 0.1 mM
0.005
-
morin
-
IC50: 5 microM
0.0004
-
myricetin
-
IC50: 0.4 microM
0.00041
-
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.01355
-
N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
0.00089
-
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.02923
-
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
-
-
0.02312
-
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.01483
-
N-(3-chloro-4-fluorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.00135
-
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.00394
-
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
-
-
0.07358
-
N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.03741
-
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.02802
-
N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.052
-
N-(4-chlorobenzyl)-2-[(4-chlorobenzyl)sulfanyl]quinazolin-4-amine
-
-
0.028
-
N-(4-chlorobenzyl)-N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]acetamide
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0018
-
N-(4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorophenyl)acetamide
-
-
0.0016
-
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.06
-
N-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
-
-
0.00097
-
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.00046
-
N-(anthracen-9-ylmethyl)-1-bicyclo[2.2.1]hept-2-yl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
0.00062
-
N-(anthracen-9-ylmethyl)-1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
0.00075
-
N-(anthracen-9-ylmethyl)-1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
0.00032
-
N-(anthracen-9-ylmethyl)-1-cyclooctyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
0.00039
-
N-biphenyl-3-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.01
-
N-[(1E)-(2-chlorophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.01
-
N-[(1E)-(2-chlorophenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.0046
-
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
experimental value of newly synthesized compound based on in silico prediction
0.01
-
N-[(1E)-(3,4-dimethoxyphenyl)methylidene]-5-methyl-4-phenyl-1,3-thiazol-2-amine
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.007
-
N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
-
experimental value of newly synthesized compound based on in silico prediction
0.00367
-
N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.00339
-
N-[4-(benzyloxy)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
0.018
-
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzamide
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.015
-
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzenesulfonamide
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0122
-
N-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]acetamide
-
pH 7.5, 25C
0.00059
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00046
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.00018
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]formamide
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0039
-
panosialin A
-
pH 6.5, temperature not specified in the publication
0.0118
-
panosialin A
-
pH 8.0, temperature not specified in the publication
0.0052
-
panosialin B
-
pH 6.5, temperature not specified in the publication
0.0085
-
panosialin B
-
pH 8.0, temperature not specified in the publication
0.0052
-
panosialin wA
-
pH 6.5, temperature not specified in the publication
0.0096
-
panosialin wA
-
pH 8.0, temperature not specified in the publication
0.0055
-
panosialin wB
-
pH 6.5, temperature not specified in the publication
0.0091
-
panosialin wB
-
pH 8.0, temperature not specified in the publication
0.01005
-
pyrrolidine carboxamide
-
IC50: 10.05 microM, chosen as a lead structure for further structure optimization
0.0015
-
quercetin
-
IC50: 1.5 microM
0.00000157
-
triclosan
Q3JQY0
pH 6.8, 25C
0.000033
-
triclosan
-
mutant A372V, pH not specified in the publication, temperature not specified in the publication
0.000035
-
triclosan
-
mutant A372M, pH not specified in the publication, temperature not specified in the publication
0.00006
-
triclosan
-
-
0.000066
-
triclosan
-
mutant K316A, pH not specified in the publication, temperature not specified in the publication; wild-type, pH not specified in the publication, temperature not specified in the publication
0.000073
-
triclosan
-
-
0.000073
-
triclosan
-
pH 7.5, 25C
0.000089
-
triclosan
-
pH not specified in the publication, temperature not specified in the publication
0.0002
-
triclosan
-
inhibitory activity with recombinant purified protein, IC50: 0.00020 mM
0.0005
-
triclosan
-
-
0.00051
-
triclosan
-
IC50: 0.00051 mM
0.00051
-
triclosan
-
wild type enzyme, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0006
-
triclosan
B0Q840, -
-
0.00075
-
triclosan
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.00075 mM
0.0008
-
triclosan
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.00080 mM
0.00145
-
triclosan
A3R4P1
recombinant enzyme, in 0.1 mM Tris-HCl buffer (pH 7.2)
0.00201
-
triclosan
-
inhibitory activity with recombinant purified protein, IC50: 2.01 microM
0.0028
-
triclosan
-
in 30 mM PIPES buffer, 150 mM NaCl, 10% glycerol (pH 8.0)
0.0038
-
triclosan
-
in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0099
-
triclosan
-
mutant enzyme G93V, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.016
-
triclosan
-, P54616
-
0.071
-
triclosan
Q8Z9U1
pH 6.8, 25C
0.00019
-
[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetonitrile
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.1
-
[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]acetonitrile
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
0.00004
-
[4-[4-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-hydroxyphenoxy]-3-(methylamino)phenyl]methanaminium
-
predicted IC50
0.00028
-
[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.0033
-
2-(2-[(benzylamino)methyl]-4-chlorophenoxy)-5-chlorophenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
additional information
-
2-(3-dimethylaminophenoxy)-5-propylphenol
B0Q840, -
12.6% inhibition at 1 microM
0.01
-
2-[2-[(benzylamino)methyl]phenoxy]-5-chlorophenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
additional information
-
2-[3-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
B0Q840, -
9.9% inhibition at 1 microM
additional information
-
2-[3-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
B0Q840, -
20.6% inhibition at 1 microM
0.00016
-
2-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-oxoacetamide
-
compound of training and test sets for the CoMFA and CoMSIA studies
additional information
-
2-[4-(1-hydroxyethyl)phenoxy]-5-propylphenol
B0Q840, -
17.1% inhibition at 1 microM
additional information
-
2-[4-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
B0Q840, -
15.5% inhibition at 1 microM
additional information
-
2-[4-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
B0Q840, -
10.0% inhibition at 1 microM
0.0188
-
3-(2-chlorophenoxy)-6-methoxypyridin-2(1H)-one
-
-
additional information
-
3-(2-hydroxy-4-propylphenoxy)benzoic acid
B0Q840, -
9.2% inhibition at 1 microM
0.002
-
3-(2-hydroxy-4-propylphenoxy)benzoic acid methylester
B0Q840, -
-
additional information
-
3-(3-hydroxy-4-phenoxyphenyl)propane-1,2-diol
B0Q840, -
9.8% inhibition at 1 microM
0.00625
-
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]acrylic acid methylester
B0Q840, -
larger than 0.00625 mM
additional information
-
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid
B0Q840, -
17.6% inhibition at 1 microM; 17.9% inhibition at 1 microM
0.0075
-
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid methylester
B0Q840, -
-
additional information
-
3-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]pyridine
B0Q840, -
0.5% inhibition at 1 microM
0.1
-
5-(2-chlorophenoxy)-2-methoxypyridine 1-oxide
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
additional information
-
5-(benzylaminomethyl)-2-phenoxyphenol
B0Q840, -
7.9% inhibition at 1 microM
0.022
-
5-chloro-2-(4-chloro-2-[[(4-chlorobenzyl)(methyl)amino]methyl]phenoxy)phenol
-
compound of training and test sets for the CoMFA and CoMSIA studies
additional information
-
5-chloro-2-(4-hydroxyphenoxy)phenol
B0Q840, -
2.6% inhibition at 1 microM
additional information
-
5-chloro-2-(4-nitrophenoxy)phenol
B0Q840, -
7.2% inhibition at 1 microM
additional information
-
5-chloro-2-phenoxyaniline
B0Q840, -
4.4% inhibition at 1 microM
0.0005
-
5-chloro-2-phenoxyphenol
B0Q840, -
-
additional information
-
5-chloro-2-phenoxyphenylmethanol
B0Q840, -
1.8% inhibition at 1 microM
0.00000051
-
5-ethyl-2-phenoxyphenol
Q3JQY0
pH 6.8, 25C
additional information
-
5-hydroxymethyl-2-phenoxyphenol
B0Q840, -
5.0% inhibition at 1 microM
0.00085
-
N-[3-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
additional information
-
N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
B0Q840, -
1.6% inhibition at 1 microM
SPECIFIC ACTIVITY [µmol/min/mg]
SPECIFIC ACTIVITY MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
0.0036
-
-
parenchyma
0.00608
-
-
reductase II
0.008
-
-
epidermis
0.0153
-
-
reductase I
0.068
-
-
-
0.14
-
-, P54616
FabI protein; spectrophotometric assay, S-((2E)-oct-2-enoyl)-N-acetylcysteamine as a substrate
0.18
-
-, P54616
YgaA protein
2.3
-
-, P54616
spectrophotometric assay, (2E)-but-2-enoyl-[acyl carrier protein] as a substrate
155.5
-
-
-
additional information
-
-
specific activity of reductase I and II incrude extracts
additional information
-
-
-
additional information
-
-
specific activities in temperature sensitive mutants
pH OPTIMUM
pH MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
6
-
-
in 3-(N-morpholino)propane sulfonate buffer
6.5
-
-
assay at
6.8
-
-
activity assay
7
-
-
inhibition assay
7.2
-
-
activity assay
7.4
-
-
FabI-inhibitory activity assay
7.4
-
-
activity assay
7.5
-
-
activity assay
7.5
-
P0AEK4
assay at
7.5
-
-
assay at
7.9
-
Q62L02
; assay at
pH RANGE
pH RANGE MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
6.6
8.5
Q62L02
-
TEMPERATURE OPTIMUM
TEMPERATURE OPTIMUM MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
6.5
-
-
reductase I
7.1
-
-
reductase II
20
-
-
FabI-inhibitory activity assay at room temperature
22
-
P0AEK4
assay at room temperature
23
-
-
activity assay
25
-
-, P54616
assay at
25
-
-
activity assay
25
-
Q62L02
assay at
25
-
-
assay at
30
-
B0Q840, -
activity assay
35
-
-
antibacterial activity assay
SOURCE TISSUE
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
SOURCE
-
no reductase I activity in crude extracts
Manually annotated by BRENDA team
-
parenchymal and epidermal cells
Manually annotated by BRENDA team
LOCALIZATION
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
GeneOntology No.
LITERATURE
SOURCE
-
thylakoid membrane
Manually annotated by BRENDA team
PDB
SCOP
CATH
ORGANISM
Anaplasma phagocytophilum (strain HZ)
Anaplasma phagocytophilum (strain HZ)
Aquifex aeolicus (strain VF5)
Bacillus cereus (strain ATCC 14579 / DSM 31)
Bacillus cereus (strain ATCC 14579 / DSM 31)
Bacillus subtilis (strain 168)
Bacillus subtilis (strain 168)
Brucella melitensis biotype 1 (strain 16M / ATCC 23456 / NCTC 10094)
Burkholderia pseudomallei (strain 1710b)
Escherichia coli (strain B / BL21-DE3)
Escherichia coli (strain B / BL21-DE3)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Escherichia coli (strain K12)
Francisella tularensis subsp. tularensis (strain FSC 198)
Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
Helicobacter pylori (strain ATCC 700392 / 26695)
Helicobacter pylori (strain ATCC 700392 / 26695)
Mycobacterium leprae (strain TN)
Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)
Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)
Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)
Plasmodium falciparum (isolate 3D7)
Plasmodium falciparum (isolate 3D7)
Plasmodium falciparum (isolate 3D7)
Porphyromonas gingivalis (strain ATCC BAA-308 / W83)
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
MOLECULAR WEIGHT
MOLECULAR WEIGHT MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
28500
-
-
SDS-PAGE
32500
-
-
monomeric form, SDS-PAGE
33000
-
-
monomeric form, SDS-PAGE
34000
-
-
monomeric form, SDS-PAGE
35000
-
-
monomeric form, SDS-PAGE
35000
-
-
SDS-PAGE
62400
-
-
gel filtration
83000
-
-
gel filtration
104900
-
-
mutant I21V, estimated by gel-filtration chromatography
108700
-
-
mutant S94A, estimated by gel-filtration chromatography
115000
-
-
gel filtration
115900
-
-
wild-type enzyme, estimated by gel-filtration chromatography
118100
-
-
mutant I47T, estimated by gel-filtration chromatography
120100
-
-
native PAGE
140000
-
-
-
140000
-
-
gel filtration
140000
-
-
-
150000
-
Q9BH77
gel filtration
SUBUNITS
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
?
-
two polypeptides which differ in molecular mass by about 1000 Da
?
-
x * 29968, calculated
?
Q5E6G3
x * 43800, calculated
?
Francisella tularensis SCHU S4
-
x * 29968, calculated
-
dimer
-
x-ray crystallography
homotetramer
O24990
x-ray crystallography
tetramer
-
4 * 32500, SDS-PAGE
tetramer
-
alpha2beta2, 2 *: 34800, 2 * 33600, SDS-PAGE
tetramer
-
2 * 348000 + 2 * 33600
tetramer
-
crystallization experiments
tetramer
-
homotetramer
tetramer
-
homotetramer, crystallization experiments
tetramer
Q9BH77
4 * 38163, MALDI-TOF mass spectrometry; 4 * 38166, deduced from nucleotide sequence
tetramer
-
4 * 28000
tetramer
-
x-ray crystallography
tetramer
-
native PAGE
monomer
-
gel filtration
additional information
-
exists in different oligomeric forms that are dependent on concentration. At concentrations from 60 to 138 mM, enzyme exists as a tetramer, while at concentrations below 8 mM a dimeric unit is seen, according to dynamic light-scattering studies and size-exclusion studies
additional information
Francisella tularensis SCHU S4
-
exists in different oligomeric forms that are dependent on concentration. At concentrations from 60 to 138 mM, enzyme exists as a tetramer, while at concentrations below 8 mM a dimeric unit is seen, according to dynamic light-scattering studies and size-exclusion studies
-
Crystallization/COMMENTARY
ORGANISM
UNIPROT ACCESSION NO.
LITERATURE
to 2.7 A resolution, orthorhombic space group P21212, with unit-cell parameters a = 123.53, b = 164.14, c = 97.07A
Q5E6G3
apo form and in the ternary complex with NADP+ and an indole naphthyridinone inhibitor, to 3.0 and 2.2 A resolution, respectively. The two structures are almost identical, except for the three stretches that are disordered in the apo form. The apo form exists as a homo-dimer in both crystal and solution, while the ternary complex forms a homo-tetramer. The three stretches disordered in the apo structure are important in the cofactor and the inhibitor binding as well as in tetramer formation
Q81GI3
in complex with inhibiotrs triclosan and (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, to 2.7 A and 1.3 A resolution, respectively
P54616
complexed with NAD+, NADH or thienodiazaborine, hanging drop vapor diffusion method; complexed with NAD+ or crotonyl-CoA, hanging drop vapor diffusion method
-
complexed with NAD+ and triclosan, hanging drop vapor diffusion method
-
complexed with NAD+, hanging drop vapor diffusion method
-
crystals of FabI/NAD+ complex with (E)-N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthydrin-3-yl)acrylamide diffract to 2.3 A
-
in complex with NAD+ and triclosan, to 2.1 A resolution. The substrate-binding loop, residues 191205, undergoes a major conformational change upon binding to triclosan and forms a lid on top of the triclosan moiety and the nicotinamide group that shields them from the solvent
-
in complex with NAD+ and triclosan or diclosan
O24990
in the presence of NAD+ and triclosan, hanging drop vapor diffusion method
-
in complex with NAD and isoniazid, hanging drop vapour diffusion method,in 50 mM HEPES, pH 7.2, sodium citrate buffer and 5-10% 2-methyl-2,4-pentanediol
-
purified recombinant His-tagged InhA in a ternary complex with NAD+ and PT70, 10 mg/ml protein is combined with NAD and PT70 in a molar ratio of 1:5:200, mixing of euqual volumes of protein and reservoir solution, the latter containing 12-16% w/v PEG 4000, 1% DMSO, 100 mM N-(2-acetamido)iminodiacetic acid, pH 6.8, and 100-250 mM ammonium acetate, 22C, 4 days, X-ray diffraction structure determination and analysis at 1.8-2.1 A resolution, modelling, overview
-
wild-type enzyme, S94A, I47T and I21V mutants in complex with NADH at resolutions of 2.3 A, 2.2 A, 2.0 A, 1.9 A, respectively
-
as binary complex with NADH and as ternary complex with NAD+ and triclosan, crystals diffract to 2.5 A and 2.2 A, respectively
-
crystals are grown by hanging-drop vapour-diffusion, 0.0025 ml protein solution containing 12 mg/ml enzyme in 20 mM sodium/potassium phosphate, pH 8.0, 150 mM NaCl, 0.005 mM NAD+ and 0.006 mM triclosan are mixed with 0.0025 ml reservoir solution at 17C, optimal reservoir solution contains 19.5% polyethylene glycol 3350 and 230 mM KI, crystals diffract to 2.2 A
-
in complex with isoniazid and NAD+, hanging drop vapour diffusion method in 2.4 M (NH4)2SO4, 0.1 M MES pH 5.6, at 16C
-
molecular dynamics simulations of tetrameric enzyme in different states of cofactor and ligand binding. Simulations show fluctuations in the substrate-binding loop and provide data of the pocket volume
-
mutants A372M, K316A in cimolex with triclosan, to 2.5 and 2.05 A resolution, respectively. The enzyme has a conserved salt bridge which stabilizes the substrate binding loop and appears to be important for the active conformation
-
X-ray crystal structures of Plasmodium falciparum enzyme in complex with triclosan variants having different substituted and unsubstituted groups at different key functional locations. 4 and 2' substituted compounds have more interactions with the protein, cofactor, and solvents when compared with triclosan. Substitution at the 2' position of triclosan causes the relocation of a conserved water molecule, leading to an additional hydrogen bond with the inhibitor. 2' and 4' unsubstituted compounds show a movement away from the hydrophobic pocket to compensate for the interactions made by the halogen groups of triclosan
-
in complex with 1, hanging drop vapour diffusion method, with 0.1 M MES, pH 5.5-7.0, 0.1 M NH4Cl, 0.2 M CaCl2, 8-15% 2-methyl-2,4-pentanediol , 8-15% polyethyleneglycol 1000, and 5 mM dithiothreitol; the crystal structure of enoyl-acyl carrier protein reductase is determined at 1.7 A, in complex with a phenylimidazole derivative inhibitor at 2.3 A
-
SeMet-substituted crystals are grown by the hanging-drop vapour-diffusion method, diffraction data are collected to 2.00 A resolution
-
crystals of enoyl reductase in complex with NAD+ and triclosan, data are collected to beyond 2.6 A
-
enzyme in complex with NAD+ and 19, X-ray diffraction structure determination and analysis at 2.7 A resolution
Q6UCJ9
to 1.6 A resolution, space group P212121. The model consists of one monomer in the asymmetric unit which is composed of 13 alpha-helices and 11 beta-strands, representing a canonical Rossmann fold architecture. In addition to the conserved residues Y236 and K245 in the Y-X8-K motif, Y53, D111 and Y226 are key residues implicated in the reductase activity, and F113 and T276 are also important for enzyme function
Q2P9J6
in complex with NADH, and in complex with inhibitors 1-(2-chlorobenzyl)-4-hexylpyridin-2(1H)-one and 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, to 0.92-1.54 A resolution. Without a substrate bound, it adopts a closed conformation that has to open to allow access of the enoyl substrate or an inhibitor
Q8Z9U1
pH STABILITY
pH STABILITY MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
7.5
-
-
relatively stable above
TEMPERATURE STABILITY
TEMPERATURE STABILITY MAXIMUM
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
4
-
-
stable for 3 months
55
-
-
5 min stable
60
-
-
5 min, inactivation
STORAGE STABILITY
ORGANISM
UNIPROT ACCESSION NO.
LITERATURE
-70C, at least 3 months, survives only 1 freeze thaw cycle
-
-20C, 30 mM PIPES, pH 6.8, 50% glycerol, 6 months
-
20C, 0.1 M phosphate buffer, pH 7.0, unstable
-
-20C, 2 months
-
-20C, at least 3 months without loss of activity
-
Purification/COMMENTARY
ORGANISM
UNIPROT ACCESSION NO.
LITERATURE
HisTrap HP column chromatography
-
Ni2+ chelation chromatography; two enzymes: FabI and YgaA
-, P54616
homogeneity
-
recombinant His-tagged wild-type and mutant enzymes from Escherichia coli BL21(DE3) by nickel affinity chromatography
Q62L02
two different forms I and II
-
amylose-resin-based affinity chromatography
A3R4P1
HiTrap metal chelating column chromatography, HiTrap SP FastFlow column chromatography, and amylose column chromatography
-
95% purity
-
Ni-NTA agarose column chromatography
-
no separation from NADPH-specific enzyme
-
recombinant FabI
-
using a Ni-NTA agarose column
-
usung a Ni-NTA agarose column
-
Ni-NTA affinity column chromatography
-
recombinant His-tagged InhA from Escherichia coli BL21(DE3) by nickel affinity chromatography and gel filtration
-
using a 15Q high-resolution anion exchange column and a Hightrap butyl Sepharose column
-
Ni-NTA affinity column chromatography
-
recombinant enzyme
Q9BH77
recombinant His-tagged pfENR
-
recombinant His6-tagged ENR from Escherichia coli BL21 by nickel affinity chromatography
-
recombinant PfENR
-
using metal-chelate-affinity chromatography and gel filtration
-
usung a Ni-NTA agarose column
-
polyhistidine-tagged recombinant wild-type protein and mutant enzyme G95V
-
recombinant FabI1
-
homogeneity
-
two different forms I and II
-
Ni-NTA agarose column chromatography
-
recombinant FabK
-
using a Ni-NTA agarose, a POROS HQ20 and a Resource PHE column, and by gel filtration
-
using a HiTrap Chelating HP and an amylose column
-
Ni-NTA column chromatography, Vivapure D maxi H spin column chromatography, and Blue Sepharose column chromatography
-
Cloned/COMMENTARY
ORGANISM
UNIPROT ACCESSION NO.
LITERATURE
expression in Escherichia coli
Q5E6G3
expressed in Escherichia coli BL21(DE3) cells
-
expression in Escherichia coli
Q81GI3
; expression in Escherichia coli
-, P54616
; gene fabV, expression of His-tagged wild-type and mutant enzymes in Escherichia coli BL21(DE3), theN-terminal His-tag in bmFabv does not have a dramatic effect on catalytic activity
Q62L02
expression in Escherichia coli
Q3JQY0
expressed in Escherichia coli
A3R4P1
expressed in Escherichia coli BL21-Star(DE3) cells
-
expressed in Escherichia coli Top10 cells
-
fabI gene from Escherichia coli DH5alpha was cloned into pBAD/Myc-His B vector for expression of the protein in Escherichia coli TOP10 cells
-
gene fabI, overexpression in Escherichia coli strain M15
P0AEK4
the enoyl-[acyl-carrier-protein] reductase gene of Escherichia coli is cloned into a vector coding for the 6 x His tag for expression in Escherichia coli BL21DE3 cells
-
expressed in Escherichia coli in BL-21(DE3) cells
-
expression of His-tagged InhA in Escherichia coli BL21(DE3)
-
into a pET15b vector for expression in Escherichia coli BL21-Gold (DE3)
-
expressed in Escherichia coli BL21(DE3) Codon+-RIL cells
-
expression in Escherichia coli
-
expression of the His6-tagged ENR in Escherichia coli BL21
-
for expression in Escherichia coli BL21DE3 CodonPlus-RIL cells
-
the enoyl-[acyl-carrier-protein] reductase gene of Plasmodium falciparum is cloned into a vector coding for the 6 x His tag for expression in Escherichia coli BL21DE3 cells
-
expression in Escherichia coli
Q9HZP8
expression in Escherichia coli
-
expressed in Escherichia coli Top10 cells
-
expression in Escherichia coli
-
into the pET-21b+ vector for expression in the Escherichia coli methionine auxotroph B834DE3
-
into the pMALc2x vector without signal peptide coding sequence, a second construct contains in addition the sequence of the TEV protease cleaving site followed by a hexahistidine tag
-
expressed in Escherichia coli BL21 Star (DE3) cells
-
ENGINEERING
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
K244A
Q62L02
mutation does not induce major structural alterations. 110fold decrease in kcat value; site-directed mutagenesis
K244A/K245A
Q62L02
loss of activity; site-directed mutagenesis
K244R
Q62L02
mutation does not induce major structural alterations. 950fold decrease in kcat value; site-directed mutagenesis
K245M
Q62L02
mutation does not induce major structural alterations. 3fold increase in Km value for substrate dodecanoyl-CoA, 70fold decrease in kcat for substrate reduction; site-directed mutagenesis
Y235A
Q62L02
mutation does not induce major structural alterations. 280fold decrease in kcat/Km ratio; site-directed mutagenesis
Y235S
Q62L02
mutation does not induce major structural alterations. 280fold decrease in kcat/Km ratio; site-directed mutagenesis
K244A
-
mutation does not induce major structural alterations. 110fold decrease in kcat value; site-directed mutagenesis
-
Y235A
-
mutation does not induce major structural alterations. 280fold decrease in kcat/Km ratio; site-directed mutagenesis
-
Y235S
-
site-directed mutagenesis
-
A197M
-
no effect on triclosan inhibition
A95V aureus
-
triclosan-resistant mutant
F203L
-
mutation decreases affinity of triclosan
F203L
-
drug resistant mutant, probably due to an altered inhibitor-binding mode and a relatively more rigid binding site
G93V
-
mutation decreases affinity of triclosan
G93V coli
-
triclosan-resistant mutant
Y156F
-
mutation decreases affinity of triclosan
I16T
-
reduced NADH affinity
I16T
-
isoniazid resistant clinical mutant, in silico constructed
I21V
-
reduced NADH affinity
I21V
-
isoniazid-resistant mutant
I21V
-
isoniazid resistant clinical mutant, in silico constructed
I21V
-
isoniazid resistance mutant of Mycobacterium tuberculosis enoyl-[acyl-carrier-protein] reductase
I21V
-
mutant, studied for understanding of the isoniazid drug resistance mechanism
I21V
-
isoniazid-resistant mutant, loss of van der Waals interaction between NADH and the CD1 atom present in the valine residue leads to decrease of stability in binding of NADH in the active site of the protein
I21V
-
mutant resistant to isoniazid
I47T
-
reduced NADH affinity
I47T
-
mutant, studied for understanding of the isoniazid drug resistance mechanism
I95P
-
reduced NADH affinity, reduced Vmax
K165A
-
mutant enzyme is unable to bind NADH
K165M
-
mutant enzyme is unable to bind NADH
K165Q
-
wild type activity
S94A
-
mutant, studied for understanding of the isoniazid drug resistance mechanism
S94A
-
isoniazid-resistant mutant, alteration in the binding network involving a conserved water molecule and O9 atom of molecule of NADH leads to increase of the flexibility of the conserved water molecule and decrease of the affinity of NADH by protein
Y158A
-
decreased Kcat, unaffected Km for trans-2-dodecenoyl-CoA, lower Km for NADH
Y158F
-
decreased Kcat, unaffected Km for trans-2-dodecenoyl-CoA, lower Km for NADH
Y158S
-
wild type activity
A217G
Q9BH77
55% of wild-type kcat
A217V
Q9BH77
74% of wild-type kcat
A372M
-
mutation increases the affinity of the enzyme towards triclosan to almost double
A372V
-
mutation increases the affinity of the enzyme towards triclosan to almost double
A372V/K316A
-
enzymatically inactive
A372V/K316E
-
enzymatically inactive
D370A
-
enzymatically inactive
D370K
-
enzymatically inactive
F368A
Q9BH77
no activity
F368I
Q9BH77
65% of wild-type kcat
K316A
-
no change in affinity to triclosan
K316E
-
enzymatically inactive
K316I
-
enzymatically inactive
M281A
Q9BH77
no activity
M281T
Q9BH77
68% of wild-type kcat
N218A
Q9BH77
no activity
N218D
Q9BH77
93% of wild-type kcat
G95V
-
mutant enzyme retains normal activity with enoyl-[acyl-carrier-protein], but is highly resistant to triclosan
G95S
-
marginal increase in resistance to diazaborine
P155Q
-
strong increase in resistance to diazaborine
A95V aureus
-
triclosan-resistant mutant
F204L
-
CG400549-resistant mutant
F204L
Staphylococcus aureus RN4220
-
CG400549-resistant mutant
-
D111A
Q2P9J6
inactive
F113A
Q2P9J6
restores fatty acid synthesis in an Escherichia coli fabI mutant strain to wild-type level
K245A
Q2P9J6
inactive
K245R
Q2P9J6
inactive
S50A
Q2P9J6
restores fatty acid synthesis in an Escherichia coli fabI mutant strain to wild-type level
T276A
Q2P9J6
restores fatty acid synthesis in an Escherichia coli fabI mutant strain to wild-type level
V246A
Q2P9J6
restores fatty acid synthesis in an Escherichia coli fabI mutant strain to wild-type level
Y226F
Q2P9J6
restores fatty acid synthesis in an Escherichia coli fabI mutant strain to wild-type level
Y236A
Q2P9J6
inactive
Y236F
Q2P9J6
inactive
Y53A
Q2P9J6
partly restores fatty acid synthesis in an Escherichia coli fabI mutant strain
Y53F
Q2P9J6
restores fatty acid synthesis in an Escherichia coli fabI mutant strain to wild-type level
additional information
-, P54616
the fabI knockout is as sensitive as the wild-type strain to the inhibitor triclosan
M159T
-
mutation decreases affinity of triclosan
additional information
-
construction of tetracysteine-tagged enzyme variants carrying the tag at the N-terminus, C-terminus, or both N- and C-terminus. All the tetracysteine-tagged FabI enzymes have high enzyme activities while the enhanced green fluorescent protein-tagged FabI exhaustively loses the activity. The binding between 4',5'-bis(1,3,2-dithioarsolan-2-yl)fuorescein, i.e. FlAsH reagent and tetracysteine motif is stable against high pressure, high field strength, high temperature, and ultrasound. A capillary zone electrophoresis system equipped with a laser-induced fluorescence detector has a detection limit of 10-16 M for the labeled proteins
APPLICATION
ORGANISM
UNIPROT ACCESSION NO.
COMMENTARY
LITERATURE
medicine
-
targeting enoyl-ACP reductase is an attractive approach for the development of novel antibacterials
medicine
B0Q840, -
targeting enoyl-ACP reductase is a viable approach to new antimicrobial agents
analysis
-
construction of tetracysteine-tagged enzyme variants carrying the tag at the N-terminus, C-terminus, or both N- and C-terminus. All the tetracysteine-tagged FabI enzymes have high enzyme activities while the enhanced green fluorescent protein-tagged FabI exhaustively loses the activity. The binding between 4',5'-bis(1,3,2-dithioarsolan-2-yl)fuorescein, i.e. FlAsH reagent and tetracysteine motif is stable against high pressure, high field strength, high temperature, and ultrasound. A capillary zone electrophoresis system equipped with a laser-induced fluorescence detector has a detection limit of 10-16 M for the labeled proteins
medicine
-
antibacterial target
medicine
-
targeting bacterial fatty acid biosynthesis is a viable approach to new antimicrobial agents
medicine
-
FabI is a target for antibacterial therapy
medicine
-
enoyl-acyl carrier protein reductase inhibitors turn out to be clinically useful antimicrobials
medicine
-
de novo fatty acid biosynthetic components encoded in Francisella tularensis are transcriptionally active during infection in the mouse model of tularemia
medicine
Francisella tularensis SCHU S4
-
de novo fatty acid biosynthetic components encoded in Francisella tularensis are transcriptionally active during infection in the mouse model of tularemia
-
drug development
-
InhA is an attractive target for the development of drugs against tuberculosis
medicine
-
tuberculosis, TB, target of anti-tubercular agents
medicine
-
enoyl-acyl carrier protein reductase inhibitors turn out to be clinically useful antimicrobials
medicine
-
WYW is a potential lead compound for the development of new anti-tuberculosis drugs
medicine
-
the results can be of primary importance in to elucidate the mechanism of action of isoniazid and to better understand the isoniazid-dependent resistances, and they can also prove useful in the design of a new generation of antitubercular drugs
medicine
-
Mycobacterium tuberculosis enoyl acyl carrier protein reductase represents a prospective drug target against tuberculosis, identified MtENR binders can be characterized as potential therapeutic targets laying a foundation for future lead identification and optimization studies
medicine
-
antibacterial target
medicine
-
antimalarial target
medicine
-
anti-malarial target
medicine
-
epigallocatechin gallate is a promising candidate for the development of tea catechin based antimalarial drugs
medicine
-
enoyl-acyl carrier protein reductase from Plasmodium falciparum is an important target for anti-malarial agents
medicine
-
enoyl-acyl carrier protein reductase is a target for anti-malarial drugs
medicine
-
antibacterial target
medicine
-
targeting bacterial fatty acid biosynthesis is a viable approach to new antimicrobial agents
medicine
-
FabI is a target for antibacterial therapy
drug development
-
the bacterial enoyl-ACP reductase is a target for antibacterial drug development
medicine
-
antibacterial target
medicine
-
targeting enoyl-ACP reductase is an attractive approach for the development of novel antibacterials
drug development
Streptococcus pneumoniae KCTC 3932
-
the bacterial enoyl-ACP reductase is a target for antibacterial drug development
-
medicine
-
antibacterial target