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
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
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
BRENDA Link
KEGG Link
MetaCyc Link
(5Z)-dodec-5-enoate biosynthesis
-
-
8-amino-7-oxononanoate biosynthesis I
-
-
cis-vaccenate biosynthesis
-
-
fatty acid elongation -- saturated
-
-
gondoate biosynthesis (anaerobic)
-
-
mycolate biosynthesis
-
-
oleate biosynthesis IV (anaerobic)
-
-
palmitate biosynthesis II (bacteria and plants)
-
-
palmitoleate biosynthesis I (from (5Z)-dodec-5-enoate)
-
-
stearate biosynthesis II (bacteria and plants)
-
-
superpathway of mycolate biosynthesis
-
-
triclosan resistance
-
-
arachidonate biosynthesis
-
-
lipid metabolism
-
-
palmitate biosynthesis
-
-
Fatty acid biosynthesis
-
-
Metabolic pathways
-
-
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
COMMENTARY
LITERATURE
2-trans enoyl-acyl carrier protein reductase
-
-
2-trans-enoyl-ACP (CoA) reductase
-
-
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
-
enoyl-ACP reductase
-
-
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
-
enoyl-ACP reductase
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
-
enoyl-ACP reductase
Escherichia coli MG1655
-
-
enoyl-ACP reductase
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
Staphylococcus aureus RN4220
-
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase
-
enoyl-ACP reductase
Streptococcus pneumoniae KCTC 3932
-
-
-
enoyl-ACP reductase
-
-
enoyl-ACP reductase I
-
enoyl-ACP reductase I
Bacillus subtilis 168
-
-
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
-
enoyl-acyl carrier protein reductase
Streptococcus pneumoniae KCTC 3932
-
-
-
enoyl-acyl carrier protein reductase
-
-
enoyl-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
-
-
FabI
Bacillus cereus 6A5, Bacillus cereus DSM31
-
-
FabI
Bacillus subtilis 168
-
-
FabI
Escherichia coli MG1655
-
-
FabI
Francisella tularensis SCHU S4
-
-
-
FabI
Francisella tularensis SCHU S4
;
-
FabI
Staphylococcus aureus RN4220
-
-
-
FabI-related enoyl-ACP reductase
-
-
FabK
Streptococcus pneumoniae KCTC 3932
-
-
-
FTT_0782
locus name
FTT_0782
Francisella tularensis SCHU S4
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
-
-
-
-
reductase, enoyl-[acyl carrier protein]
-
-
-
-
trans-enoyl-[acyl-carrier-protein] reductase
-
-
VEG241
-
-
-
-
vegetative protein 241
-
-
-
-
YP_4011
locus name
additional information
the enzyme is a member of the short chain dehydrogenase/reductase superfamily
additional information
the enzyme is a member of the short chain dehydrogenase/reductase superfamily
-
CAS REGISTRY NUMBER
COMMENTARY
37251-08-4
-
ORGANISM
COMMENTARY
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
variant Columbia [Col-0]
-
-
Manually annotated by BRENDA team
-
B0Q840
Uniprot
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
COMMENTARY
LITERATURE
malfunction
physiological function of the enzyme is examined by knocking out the gene and determining the effect of the gene disruptions on cell growth and triclosan sensitivity, the gene is not essential
metabolism
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
enoyl reductase, ENR, a type II fatty acid synthase enzyme essential in parasites but not present in host animals
physiological function
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
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
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
-
-
?
(2E)-but-2-enoyl-[acyl carrier protein] + NADH + H+
butanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
?
2-decenoyl-[acyl-carrier protein] + NADH
decanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
?
2-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
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
-
-
-
?
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
-
-
-
?
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
-
-
-
?
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
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
-
-
?
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
-
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
-
-
-
?
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
-
-
-
?
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
-
-
-
?
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
-
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
-
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
-
-
?
crotonyl-CoA + NADH + H+
butyryl-CoA + NAD+
show the reaction diagram
-
-
-
?
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
-
-
?
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
-
-
-
?
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
-
-
?
crotonyl-[acyl-carrier protein] + NADH + H+
butyryl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
?
crotonyl-[acyl-carrier-protein] + NADH + H+
butyryl-[acyl-carrier-protein] + NAD+
show the reaction diagram
-
-
?
dodecenoyl-CoA + NADH + H+
dodecanoyl-CoA + NAD+
show the reaction diagram
-
-
?
enoyl esters of acyl-carrier protein + NADH
?
show the reaction diagram
-
-
-
-
?
enoyl 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
-
-
?
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
-
-
?
trans-2-decenoyl-CoA + NADH + H+
decanoyl-CoA + NAD+
show the reaction diagram
-
-
?
trans-2-decenoyl-[acyl-carrier protein] + NADH
decanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
?
trans-2-decenoyl-[acyl-carrier protein] + NADH
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
-
-
?
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
dodecanoyl-CoA + NAD+
show the reaction diagram
-
-
-
?
trans-2-dodecenoyl-CoA + NADH + H+
dodecanoyl-CoA + NAD+
show the reaction diagram
-
-
?
trans-2-dodecenoyl-[acyl-carrier protein] + NADH
dodecanoyl-ACP + NAD+
show the reaction diagram
-
-
-
?
trans-2-dodecenoyl-[acyl-carrier protein] + NADH
dodecanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
?
trans-2-enoyl-ACP + NADH + H+
acyl-ACP + NAD+
show the reaction diagram
-
-
-
?
trans-2-enoyl-acyl-ACP + NADH + H+
acyl-ACP + NAD+
show the reaction diagram
-
-
-
?
trans-2-octenoyl-CoA + NADH + H+
octanoyl-CoA + NAD+
show the reaction diagram
-
-
?
trans-2-octenoyl-N-acetylcysteamine + NADH
octanoyl-N-acetylcysteamine + NAD+
show the reaction diagram
-
-
-
?
trans-but-2-enoyl-CoA + NADH
butanoyl-CoA + NAD+
show the reaction diagram
-
-
-
?
trans-but-2-enoyl-[acyl-carrier protein] + NADH
butanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
-
?
trans-but-2-enoyl-[acyl-carrier protein] + NADH
butanoyl-[acyl-carrier protein] + NAD+
show the reaction diagram
-
-
?
trans-but-2-enoyl-[acyl-carrier protein] + NADH
butanoyl-[acyl-carrrier-protein] + NAD+
show the reaction diagram
-
highly selective for NADH
-
?
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
?
-
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
?
-
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
?
-
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
?
-
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
?
-
activity measurement using NAD+ cofactor and substrate 2-dodecenoyl-CoA
-
-
-
additional information
?
-
catalyzes the NADH-dependent reduction of 2-trans-dodecenoyl-CoA via a sequential Bi Bi mechanism
-
-
-
additional information
?
-
enzyme is active with substrates of all fatty acid chain lengths
-
-
-
additional information
?
-
activity measurement using NAD+ cofactor and substrate 2-dodecenoyl-CoA
-
-
-
additional information
?
-
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
?
-
-
activity detection using trans-2-dodecenyl-CoA and NADH as substrate and cofactor
-
-
-
additional information
?
-
Escherichia coli MG1655
activity detection via measurement of NADPH production by reduction of crotonoyl-CoA
-
-
-
NATURAL SUBSTRATES
NATURAL PRODUCTS
REACTION DIAGRAM
ORGANISM
UNIPROT
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
-
-
-
?
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
-
-
-
?
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
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
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
NADH
B0Q840
-
NADPH
-
reductase II
NADPH
YgaA protein
additional information
-
no activity with NADPH
-
METALS and IONS
ORGANISM
UNIPROT
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
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
-
(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
-
(2E)-3-pyren-1-yl-1-[4-(1H-triaziren-1-yl)phenyl]prop-2-en-1-one
-
45% residual activity at 0.05 mM
(2E)-3-[6-(acetylamino)pyridin-3-yl]-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide
-
(2E)-N-(1H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
-
-
(2E)-N-(2-aminobenzyl)-3-(6-aminopyridin-3-yl)prop-2-enamide
-
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-(3-methoxy-2-propoxybenzyl)-N-methyl-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(3-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enamide
-
-
(2E)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(1'-methyl-2-oxo-1,4-dihydro-2H-spiro[1,8-naphthyridine-3,4'-piperidin]-6-yl)prop-2-enamide
-
-
(2E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
-
-
(2E,4E)-N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide
-
(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide
-
(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
-
-
(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
-
-
(3aR,4S,6aR)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4,5-diyldimethanol
-
-
(5Z)-3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-fluorophenyl)-5-[(3-hydroxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-methoxyphenyl)-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-(4-methoxyphenyl)-5-[[4-(1-methylethyl)phenyl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-[3-chloro-4-(2-methylprop-1-en-1-yl)phenyl]-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-3-[4-(diethylamino)phenyl]-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3-hydroxy-5-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(4-methoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-2-thioxo-3-(3,4,5-trimethylcyclohex-1-en-1-yl)-1,3-thiazolidin-4-one
-
-
(5Z)-5-[(5,6-dihydroxy-1,6-dihydropyridazin-3-yl)methylidene]-3-(7-ethenyl-2,3-dihydro-1H-inden-5-yl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
-
-
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
-
-
(E)-1-benzyl-2-methyl-3-[2-(pyridin-3-yl)vinyl]-4-pyridone
-
IC50: higher than 0.100 mM
(E)-N-(1,2-dimethyl-1-H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetra hydro-1,8-naphthyridin-3-yl)acrylamide
-
-
(E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide
-
0.00007 mM, 50% inhibition
(E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphtyridin-3-yl)-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide
-
0.00002 mM, 50% inhibition
(E)-N-methyl-N-(1,2-dimethyl-1H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide
-
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
competitive
1-(2-chlorobenzyl)-4-[(4-methoxybenzyl)oxy]pyridin-2(1H)-one
-
1-(2-chlorobenzyl)-4-[3-(1H-imidazol-1-yl)propoxy]pyridin-2(1H)-one
-
-
1-(2-chlorobenzyl)-4-[3-(1H-indol-1-yl)propoxy]pyridin-2(1H)-one
-
-
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
-
compound has significant antibacterial activity against both Gram-positive and Gram-negative bacterial pathogens
1-(3-amino-2-methylbenzyl)-4-(2-thiophen-2-ylethoxy)pyridin-2(1H)-one
-
-
1-(3-amino-2-methylbenzyl)-4-(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
competitive
1-(3-chloro-4-nitrophenyl)-1,3-dihydro-2H-benzimidazol-2-one
-
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
-
-
1-(3-chlorocyclohexyl)-4-[(2-fluorophenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(3,4-dichlorophenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(3,4-dimethylphenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(3-chlorophenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(3-methylphenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(4-fluorophenyl)carbonyl]piperazine
-
-
1-(3-chlorocyclohexyl)-4-[(4-methylphenyl)carbonyl]piperazine
-
-
1-(4-amino-2-chlorobenzyl)-4-(benzyloxy)pyridin-2(1H)-one
-
-
1-(4-aminobenzyl)-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
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
-
1-(4-nitrobenzyl)-1,3-dihydro-2H-benzimidazol-2-one
-
1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine
-
-
1-(9H-fluoren-9-yl)-4-[(4-methylphenyl)carbonyl]piperazine
-
-
1-(cyclohexylmethyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
-
-
1-(cyclohexylmethyl)-4-(phenylcarbonyl)piperazine
-
-
1-benzyl-2-butyl-3-(2,6-dichlorobenzyl)-4-pyridone
-
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
-
1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
-
-
1-[(3-chlorophenyl)carbonyl]-4-(cyclohexylmethyl)piperidine
-
-
1-[(3-methylphenyl)carbonyl]-4-(4-nitrocyclohexyl)piperazine
-
-
1-[(4-methylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
-
-
1-[(4-nitrophenyl)sulfonyl]-1,3-dihydro-2H-benzimidazol-2-one
-
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-phenylethane-1,2-dione
-
-
1-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]propane-1,2-dione
-
-
1-[4-(2-hydroxy-4-propylphenoxy)phenyl]ethanone
B0Q840
-
1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone
-
-
1-[bis(4-fluorophenyl)methyl]-4-(phenylcarbonyl)piperazine
-
-
1-[bis(4-fluorophenyl)methyl]-4-[(4-methylphenyl)carbonyl]piperazine
-
-
2,4,4'-trichloro-2'-hydroxydiphenyl ether
-
trivial name triclosan
2,4-dichloro-N-(2-[[2-oxo-2-(phenylamino)ethyl]sulfanyl]-1,3-benzothiazol-6-yl)benzamide
-
49% residual activity at 0.05 mM
2-(2'-amino-4'-chloro-phenoxy)-5-chloro-phenol
-
inhibits the parasite growth, uncompetitive inhibition kinetics with crotonoyl-CoA and competitive with NADH
2-(2,4-dichlorophenoxy)-5-(2-ethylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(2H-tetrazol-5-yl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol
-
-
2-(2,4-dichlorophenoxy)-5-chlorophenol
-
triclosan, dissociation constant of the inhibitor from the enzyme-NAD+ product complex: 7.0 pM
2-(2,4-dichlorophenoxy)-5-ethylphenol
-
-
2-(2,4-dichlorophenoxy)-5-methylphenol
-
-
2-(2,4-dichlorophenoxy)-5-propylphenol
-
-
2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol
-
-
2-(2,4-dinitrophenoxy)-5-propylphenol
B0Q840
-
2-(2,4-dinitrophenoxy)-5-propylphenol
-
2-(2-amino-4-chlorophenoxy)-5-chlorophenol
-
IC50 for Plasmodium falciparum in culture 0.0084 mM
2-(2-aminophenoxy)-5-chlorophenol
-
-
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
B0Q840
-
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
-
2-(2-hydroxybenzyl)-phenol
-
uncompetitive inhibition
2-(2-hydroxyphenoxy)phenol
-
-
2-(2-hydroxyphenyl)-phenol
-
uncompetitive inhibition
2-(2-[(benzylamino)methyl]-4-chlorophenoxy)-5-chlorophenol
-
-
2-(3-chlorophenoxy)-5-propylphenol
-
2-(3-dimethylaminophenoxy)-5-propylphenol
B0Q840
-
2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methyl phenol
-
cyperin
2-(3-hydroxymethyl-phenoxy)-5-propylphenol
B0Q840
-
2-(3-nitrophenoxy)-5-propylphenol
B0Q840
-
2-(3-nitrophenoxy)-5-propylphenol
-
2-(4-amino-2-chlorophenoxy)-5-chlorophenol
-
-
2-(4-aminophenoxy)-5-chlorophenol
B0Q840
-
2-(4-aminophenoxy)-5-propylphenol
B0Q840
-
2-(4-aminophenoxy)-5-propylphenol
-
2-(4-methanesulfinylphenoxy)-5-propylphenol
B0Q840
-
2-(4-methanesulfonylphenoxy)-5-propylphenol
B0Q840
-
2-(4-methylsulfanylphenoxy)-5-propylphenol
B0Q840
-
2-(4-nitrophenoxy)-5-propylphenol
B0Q840
-
2-(4-nitrophenoxy)-5-propylphenol
-
2-(4-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-hydroxyphenoxy)-5-methylbenzonitrile
-
predicted inhibitor, based on in-silico screening
2-(5-chlorothiophen-2-yl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]quinoline-4-carboxamide
-
-
2-(biphenyl-3-yloxy)-5-propylphenol
B0Q840
-
2-(biphenyl-4-yloxy)-5-chlorophenol
B0Q840
-
2-(biphenyl-4-yloxy)-5-chlorophenol
-
2-(dimethylamino)ethyl 3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
-
-
2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
-
-
2-(o-tolyloxy)-5-hexylphenol
-
i.e. PT70, a slow, tight binding inhibitor of InhA. PT70 binds preferentially to the InhA-NAD+ complex, binding structure, overview. It has a residence time of 24 min on the target, which is 14000times longer than that of the rapid reversible inhibitor from which it is derived. The slow onset inhibition is coupled to ordering of an active site loop, which leads to the closure of the substrate-binding pocke
2-amino-N-(5-chloro-2-phenoxyphenyl)pyridine-3-carboxamide
-
2-phenoxy-5-propylphenol
B0Q840
-
2-phenoxy-5-propylphenol
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
-
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
-
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
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
-
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
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
-
4-(2,6-dihydroxy-4-propylphenoxy)benzonitrile
-
4-(4-chloro-2-hydroxyphenoxy)-1-(4-methylphenylsulphonamido)benzene
B0Q840
-
4-(4-hydroxyphenoxy)benzene-1,3-diol
-
4-(4-hydroxyphenyl)-phenol
-
uncompetitive inhibition
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
-
-
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
-
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine
-
-
4-(cyclohexylmethyl)-1-[(3-methylphenyl)carbonyl]piperidine
-
-
4-(cyclohexylmethyl)-1-[(4-methylphenyl)carbonyl]piperidine
-
-
4-([4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
-
-
4-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
-
-
4-([[1-(2-chlorobenzyl)-2-oxo-1,2-dihydropyridin-4-yl]oxy]methyl)benzonitrile
-
-
4-acetoxyanthecotulide
-
moderate inhibition
4-bromo-N-(4-chlorophenyl)-3-(phenylsulfamoyl)benzamide
-
46% residual activity at 0.05 mM
4-bromo-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
-
17% residual activity at 0.05 mM
4-bromo-N-[4-(trifluoromethyl)phenyl]benzamide
-
49% residual activity at 0.05 mM
4-chloro-1-(4-chloro-2-methoxyphenoxy)-2-nitrobenzene
-
-
4-hydroxy-1-(4-hydroxybenzyl)pyridin-2(1H)-one
-
; less than 30% inhibition at 0.1 mM
4-hydroxy-1-(4-methoxybenzyl)pyridin-2(1H)-one
-
; less than 30% inhibition at 0.1 mM
4-hydroxyanthecotulide
-
moderate inhibition
4-hydroxymercuribenzoate
-
-
4-phenoxybenzamide adenine dinucleotide
-
NAD analogue which mimics isoniazid-NAD adduct
4-phenoxybenzene-1,3-diol
B0Q840
-
4-phenoxybenzene-1,3-diol
-
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
4-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
-
-
4-[(Z)-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
-
-
4-[2-[(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanyl]ethyl]benzoic acid
-
-
4-[3-(1H-benzotriazol-1-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
-
-
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzamide
-
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
-
4-[3-(9H-carbazol-9-yl)propoxy]-1-(4-methoxybenzyl)pyridin-2(1H)-one
-
-
4-[4-[(benzylamino)methyl]-2-hydroxyphenoxy]-3-chlorobenzonitrile
-
predicted inhibitor, based on in-silico screening
4-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-4-oxobutanoic acid
-
-
-
4-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-4-oxobutanoic acid
-
-
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzamide
-
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
-
-
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzonitrile
-
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzamide
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzoic acid
-
4-{[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl}-3-chlorobenzonitrile
-
5-(2-chlorophenoxy)-2-methoxypyridine 1-oxide
-
; less than 30% inhibition at 0.1 mM
5-(benzylaminomethyl)-2-phenoxyphenol
B0Q840
-
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
-
-
5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole
-
-
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-benzyl-2-(2,4-dichlorophenoxy)phenol
-
-
5-butyl-2-(2,4-dichlorophenoxy)phenol
-
-
5-chloro-2-(2,4-dichloro-phenoxy)phenol
-
trivial name triclosan, slow, tight-binding inhibitor
5-chloro-2-(2,4-dichlorophenoxy)-phenol
-
Triclosan
5-chloro-2-(2,4-dichlorophenoxy)phenol
-
Triclosan
5-chloro-2-(2,4-dichlorophenoxy)phenol
-
-
5-chloro-2-(2,4-dichlorophenoxy)phenol
-
5-chloro-2-(2,4-dichlorophenoxy)phenyl 2,2-dimethylpropanoate
-
5-chloro-2-(2,4-dichlorophenoxy)pyridine 1-oxide
-
-
5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol
-
-
5-chloro-2-(2-chloro-4-morpholin-4-ylphenoxy)phenol
-
-
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
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
-
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
-
5-chloro-2-(4-nitrophenoxy)phenol
B0Q840
-
5-chloro-2-(4-nitrophenoxy)phenol
-
5-chloro-2-(pyrazin-2-yloxy)phenol
-
5-chloro-2-(pyridin-3-yloxy)phenol
-
5-chloro-2-phenoxyaniline
B0Q840
-
5-chloro-2-phenoxyaniline
-
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
-
5-chloro-2-phenoxyphenylmethanol
B0Q840
-
5-chloro-2-[2-chloro-4-(1H-tetrazol-5-yl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(dimethylamino)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(hydroxymethyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(methylamino)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(morpholin-4-ylcarbonyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-(naphthalen-1-ylsulfonyl)phenoxy]phenol
-
-
5-chloro-2-[2-chloro-4-[(trifluoromethyl)sulfonyl]phenoxy]phenol
-
-
5-chloro-2-[2-[(naphthalen-1-ylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[2-[(naphthalen-2-ylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-(prop-1-en-2-ylamino)phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-[(4-phenylpiperazin-1-yl)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-[(dimethylamino)methyl]phenoxy]phenol
-
-
5-chloro-2-[4-chloro-2-[(methylamino)methyl]phenoxy]phenol
-
-
5-cyclohexyl-2-[2-(methylamino)-4-propylphenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-ethyl-2(2-hydroxyphenoxy)phenol
-
-
5-ethyl-2-phenoxyphenol
minimal inhibitory concentration for Burkholderia pseudomallei growth 70 mg/l
5-fluoro-2-phenoxyphenol
-
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
minimal inhibitory concentration for Burkholderia pseudomallei growth above 250 mg/l
5-propyl-2(2-hydroxyphenoxy)phenol
-
-
5-propyl-2-(3-trifluoromethylphenoxy)phenol
B0Q840
-
5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol
-
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-phenoxybenzamide
-
25% inhibition at 0.7 mM
5-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]pentanoic acid
-
IC50: 0.110 mM
5-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-5-oxopentanoic acid
-
-
-
5-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-5-oxopentanoic acid
-
-
-
5-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-[2-methyl-4-(methylamino)phenoxy]phenol
-
predicted inhibitor, based on in-silico screening
5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(2,7-diiodo-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(2-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(2-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(3-nitro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(4-methoxy-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
5-[[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
-
-
6-(benzyloxy)-3-phenoxypyridin-2(1H)-one
-
-
6-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
-
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
-
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
artesunate
-
-
benzo-diazaborine
-
-
Chloroquine
-
-
CoASH
-
competitive inhibitor with crotonyl CoA as substrate
crotonoyl-CoA
the addition of short-chain crotonoyl-CoA actually inhibits the oxidation of NADH by recombinant ENR in a dose-dependent manner
curcumin
i.e. (E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, an uncompetitive inhibition of FabI, shows antibacterial activity against Escherichia coli, sensitivity is decreased in FabI-overexpressing Escherichia coli
degalactosylated aquastatin A
-
a natural inhibitor from the fungus Sporothrix sp. strain FN611
diazaborane
-
-
-
diazaborine
-
0.019 mM, 50% inhibition of wild-type FabI1, 0.25 mM, 50% inhibition of P155Q mutant FabI1
diazaborine
-
-
epigallocatechin gallate
-
-
epigallocatechin gallate
-
-
Ethionamide
-
-
ethyl 5-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]isoxazole-3-carboxylate
-
; less than 30% inhibition at 0.1 mM
fisetin
-
IC50: 1 microM
gallocatechin gallate
-
-
genistein
i.e. 4',5,7-trihydroxyisoflavone
Hexachlorophene
-
50% inhibition at 0.0025 mM
imperatorin
i.e. 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
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
-
-
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
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
-
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
-
-
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-chloro-4-fluorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
-
-
N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(4-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfamoyl]benzamide
-
41% residual activity at 0.05 mM
N-(4-chlorobenzyl)-2-[(4-chlorobenzyl)sulfanyl]quinazolin-4-amine
-
-
N-(4-chlorobenzyl)-N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]acetamide
-
-
N-(4-methoxyphenyl)-2-(4-nitrophenoxy)acetamide
-
N-(4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorophenyl)acetamide
-
-
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
-
-
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(5-chloro-2-phenoxyphenyl)-2,2-dimethylpropanamide
-
N-(anthracen-9-ylmethyl)-1-bicyclo[2.2.1]hept-2-yl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(anthracen-9-ylmethyl)-1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(anthracen-9-ylmethyl)-1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
N-(anthracen-9-ylmethyl)-1-cyclooctyl-N-methyl-5-oxopyrrolidine-3-carboxamide
-
-
N-biphenyl-3-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-ethylmaleimide
-
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
-
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
-
N-[4-(benzyloxy)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
-
-
N-[5-(4-chloro-2-hydroxyphenoxy)pyridin-2-yl]acetamide
-
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzamide
-
-
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzenesulfonamide
-
-
N-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]acetamide
-
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide
-
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]butanamide
-
-
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]formamide
-
-
N1-phenylbenzene-1,2,4-triamine
-
Na3[Fe(CN)5(isonicotinic acid hydrazide)]4H2O
-
time dependent inactivation, rate constant value 327/min
NB2001
-
Triclosan prodrug form
p-chloromercuribenzoate
-
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
i.e. 3,4',5-trihydroxystilbene-3-beta-D-glucopyranoside
pyrrolidine carboxamide
-
IC50: 10.05 microM, chosen as a lead structure for further structure optimization
quercetin
-
IC50: 1.5 microM
sodium (4-[2-[([[5-(pyridin-2-ylsulfanyl)-1,3-thiazol-2-yl]carbamoyl]amino)methyl]-1H-imidazol-4-yl]phenoxy)acetate
-
; competitive inhibitor with respect to NADH and uncompetitive inhibitor with respect to crotonyl-CoA
thienodiazaborine
-
-
thiolactomycin
-
-
trichlorinated biphenylether
-
TCL
-
triclosan
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
-
uncompetitive inhibitor
triclosan
-
potent inhibitor
triclosan
-
triclosan lowers the Ki of epigallocatechin gallate
triclosan
B0Q840
-
triclosan
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
minimal inhibitory concentration for Burkholderia pseudomallei growth 30 mg/l
WYW
-
tripeptide inhibitor, identified using a structure-based approach
[3-(2-hydroxy-4-propylphenoxy)phenyl]boronic acid
-
[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetonitrile
-
-
[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]acetonitrile
-
; less than 30% inhibition at 0.1 mM
[4-[4-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-hydroxyphenoxy]-3-(methylamino)phenyl]methanaminium
-
predicted inhibitor, based on in-silico screening
[5-(3-carbamoyl-4-phenoxyphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
-
12% inhibition at 0.1 mM
[5-chloro-2-(2,4-dichlorophenoxy)phenol]
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
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
drug design, synthesis, and evaluation of the compounds concerning antiparasite activity and toxicity to host cells, overview
-
ACTIVATING COMPOUND
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
manganese(III) diphosphate
-
activated through oxidation by manganese(III) diphosphate
N-ethylmaleimide
-
stimulation
NaCl
optimal oionic strength 0.62 mM
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.0022
(2E)-2-dodecenoyl-CoA
mutant Y235S, pH 7.9, 25C
0.0027
(2E)-2-dodecenoyl-CoA
mutant Y235A, pH 7.9, 25C
0.0044
(2E)-2-dodecenoyl-CoA
wild-type, pH 7.9, 25C
0.0072
(2E)-2-dodecenoyl-CoA
mutant K244A, pH 7.9, 25C
0.0075
(2E)-2-dodecenoyl-CoA
mutant K244R, pH 7.9, 25C
0.028
(2E)-2-dodecenoyl-CoA
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
pH 6.8, 25C
0.288
crotonyl-CoA
-
in 10 mM sodium phosphate, pH 7.2, at 25C
0.293
crotonyl-CoA
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]
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]
pH 7.0, temperature not specified in the publication
0.003
NADH
-
reductase I
0.0059
NADH
-
reductase I
0.006
NADH
mutant Y235S, pH 7.9, 25C
0.0076
NADH
-
-
0.01
NADH
-
25C, pH 8.0, G93V mutant
0.011
NADH
-
-
0.0187
NADH
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
mutant Y235A, pH 7.9, 25C; wild-type, pH 7.9, 25C
0.028
NADH
mutant K245M, pH 7.9, 25C
0.033
NADH
-
-
0.033
NADH
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
mutant K244A, pH 7.9, 25C
0.069
NADH
mutant K244R, pH 7.9, 25C
0.085
NADH
-
pH 7.5, 25C
0.08832
NADH
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
pH 6.8, 25C
0.007
trans-2-decenoyl-[acyl-carrier protein]
-
-
0.704
trans-2-decenoyl-[acyl-carrier protein]
pH 7.0, temperature not specified in the publication
0.0017
trans-2-dodecenoyl-CoA
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
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]
25C, pH 7.4
1.6
trans-but-2-enoyl-[acyl-carrier protein]
-
30C, pH 6.5
0.027
crotonyl-[acyl-carrier-protein]
pH 6.8, 25C
additional information
additional information
-
Km values for NADH in various mutants; Km values in various mutants
-
additional information
additional information
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]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.022
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant K244R, pH 7.9, 25C
0.08
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant Y235A, pH 7.9, 25C
0.1
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant Y235S, pH 7.9, 25C
0.18
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant K244A, pH 7.9, 25C
0.3
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant K245M, pH 7.9, 25C
28.8
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
wild-type, pH 7.9, 25C
0.00278
crotonyl CoA
Escherichia coli
-
-
3.6
crotonyl-CoA
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
6.2
crotonyl-CoA
Plasmodium falciparum
-
pH 7.5, 25C
22.25
crotonyl-CoA
Xanthomonas oryzae
Q2P9J6
pH 7.5, 25C
5.6
trans-2-decenoyl-CoA
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
0.45
trans-2-dodecenoyl-CoA
Escherichia coli
-
25C, pH 8.0, M159T mutant
1.75
trans-2-dodecenoyl-CoA
Escherichia coli
-
25C, pH 8.0, Y156F mutant
5
trans-2-dodecenoyl-CoA
Escherichia coli
-
25C, pH 8.0, G93V mutant
8.15
trans-2-dodecenoyl-CoA
Escherichia coli
-
25C, pH 8.0, A197M mutant
8.4
trans-2-dodecenoyl-CoA
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
10.6
trans-2-dodecenoyl-CoA
Escherichia coli
-
25C, pH 8.0, F203L mutant
11.9
trans-2-dodecenoyl-CoA
Escherichia coli
-
25C, pH 8.0
28.3
trans-2-octenoyl-CoA
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
0.016
trans-but-2-enoyl-[acyl-carrier protein]
Streptococcus pneumoniae
-
30C, pH 6.5, in the absence of 100 mM NH4+
0.48
trans-but-2-enoyl-[acyl-carrier protein]
Rhodobacter sphaeroides
-
30C, pH 6.5, G95S mutant
0.65
trans-but-2-enoyl-[acyl-carrier protein]
Rhodobacter sphaeroides
-
30C, pH 6.5
1
trans-but-2-enoyl-[acyl-carrier protein]
Rhodobacter sphaeroides
-
30C, pH 6.5, P155Q mutant
1.62
trans-but-2-enoyl-[acyl-carrier protein]
Plasmodium falciparum
Q9BH77
25C, pH 7.4
70
trans-but-2-enoyl-[acyl-carrier protein]
Streptococcus pneumoniae
-
30C, pH 6.5, in the presence of 100 mM NH4+
4
crotonyl-[acyl-carrier-protein]
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
additional information
additional information
Mycobacterium tuberculosis
-
Kcat values in various mutants
-
kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.011
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant K245M, pH 7.9, 25C
5316
0.025
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant K244A, pH 7.9, 25C
5316
0.028
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant K244R, pH 7.9, 25C
5316
0.03
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant Y235A, pH 7.9, 25C
5316
0.047
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
mutant Y235S, pH 7.9, 25C
5316
6.5
(2E)-2-dodecenoyl-CoA
Burkholderia mallei
Q62L02
wild-type, pH 7.9, 25C
5316
20
crotonyl-CoA
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
406
75
crotonyl-CoA
Xanthomonas oryzae
Q2P9J6
pH 7.5, 25C
406
98
crotonyl-CoA
Plasmodium falciparum
-
pH 7.5, 25C
406
150
crotonyl-[acyl-carrier-protein]
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
42620
73
NADH
Plasmodium falciparum
-
pH 7.5, 25C
8
1000
trans-2-decenoyl-CoA
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
2290
5000
trans-2-dodecenoyl-CoA
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
2670
183
trans-2-octenoyl-CoA
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
5621
Ki VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
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
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
-
-
0.000029
NADH
-
-
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
25C, pH 7.4
0.00000057
triclosan
25C, pH 7.4, A217G mutant
0.0000015
triclosan
25C, pH 7.4, N218D mutant
0.0000021
triclosan
25C, pH 7.4, N218A mutant
0.0000063
triclosan
25C, pH 7.4, F368I mutant
0.0000072
triclosan
25C, pH 7.4, F368A mutant
0.0000093
triclosan
25C, pH 7.4, M281A mutant
0.00001
triclosan
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
25C, pH 7.4, A217V mutant
0.0004
triclosan
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
pH 7.5, 22C
additional information
additional information
inhibition kinetics, overview
-
additional information
additional information
inhibition kinetics, overview
-
additional information
additional information
-
inhibition kinetics, overview
-
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.0003
(-)-catechin gallate
Plasmodium falciparum
-
IC50: 0.3 microM
0.0002
(-)-epicatechin gallate
Plasmodium falciparum
-
IC50: 0.2 microM
0.0002
(-)-epigallocatechin gallate
Plasmodium falciparum
-
IC 50: 0.2 microM
0.0005
(-)-gallocatechin gallate
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(3-fluorophenyl)-5-(furan-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(4-fluorophenyl)-5-[(3-hydroxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(4-methoxyphenyl)-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
(5Z)-3-(4-methoxyphenyl)-5-[[4-(1-methylethyl)phenyl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
-
0.05
(5Z)-5-(anthracen-9-ylmethylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
insoluble above 0.05 mM
0.025
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.000035
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.01
(5Z)-5-[(3-hydroxy-5-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.03
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.09858
(5Z)-5-[(4-methoxynaphthalen-1-yl)methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
IC50 above 0.1 mM
0.025
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.00087
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.006
(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.035
(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.00098
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
IC50 above 0.1 mM
0.0061
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.0285
(5Z)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.0017
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.03025
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Plasmodium falciparum
-
-
0.1
(E)-1-benzyl-2-methyl-3-[2-(pyridin-3-yl)vinyl]-4-pyridone
Escherichia coli
-
IC50: higher than 0.100 mM
0.0084
1,3-bis(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0084 mM
0.02
1,3-dibenzyl-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.020 mM
0.0007
1-(2,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
Francisella tularensis
-
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
Bacillus anthracis
-
-
0.0011
1-(2-chlorobenzyl)-4-(naphthalen-2-ylmethoxy)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0021
1-(2-chlorobenzyl)-4-hexylpyridin-2(1H)-one
Yersinia pestis
Q8Z9U1
pH 6.8, 25C
0.028
1-(2-chlorobenzyl)-4-[3-(1H-imidazol-1-yl)propoxy]pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0008
1-(2-chlorobenzyl)-4-[3-(1H-indol-1-yl)propoxy]pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0003
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
Francisella tularensis
-
pH not specified in the publication, temperature not specified in the publication
0.0015
1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one
Yersinia pestis
Q8Z9U1
pH 6.8, 25C
0.00034
1-(3-chlorobenzyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one
Escherichia coli
-
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
Staphylococcus aureus
-
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
Escherichia coli
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Bacillus anthracis
-
-
0.00029
1-(4-aminobenzyl)-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00029 mM
0.0003
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
Francisella tularensis
-
pH not specified in the publication, temperature not specified in the publication
0.00009
1-(9H-fluoren-9-yl)-4-(phenylcarbonyl)piperazine
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Escherichia coli
-
IC50: 0.0045 mM
0.0015
1-benzyl-2-methyl-3-(2,4,6-trichlorobenzyl)-4-pyridone
Escherichia coli
-
IC50: 0.0015 mM
0.0029
1-benzyl-2-methyl-3-phenyl-4-pyridone
Escherichia coli
-
IC50: 0.0029 mM
0.1
1-benzyl-2-methyl-3-vinyl-4-pyridone
Escherichia coli
-
IC50: higher than 0.100 mM
0.1
1-benzyl-2-methyl-3-[2-(pyridin-3-yl)ethyl]-4-pyridone
Escherichia coli
-
IC50: higher than 0.100 mM
0.002
1-benzyl-3-(2,4-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0020 mM
0.00078
1-benzyl-3-(2,6-dichlorobenzyl)-2-ethyl-4-pyridone
Escherichia coli
-
IC50: 0.00078 mM
0.0003
1-benzyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00030 mM
0.0027
1-benzyl-3-(2,6-difluorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0027 mM
0.0043
1-benzyl-3-(2,6-dimethylbenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0043 mM
0.00039
1-benzyl-3-(2-chloro-6-fluorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00039 mM
0.0042
1-benzyl-3-(2-chlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0042 mM
0.061
1-benzyl-3-butyl-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.061 mM
0.0068
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.1
1-benzyl-4-hydroxypyridin-2(1H)-one
Bacillus anthracis
-
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
Bacillus anthracis
-
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
Mycobacterium tuberculosis
-
-
0.00031
1-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00031 mM
0.00036
1-cycloheptyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.0051
1-cyclohexyl-4-(2,3-dihydro-1H-indol-1-ylcarbonyl)pyrrolidin-2-one
Mycobacterium tuberculosis
-
-
0.03886
1-cyclohexyl-4-(phenylcarbonyl)piperazine
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
-
0.00518
1-cyclohexyl-4-([4-[(4-methylphenyl)(phenyl)methyl]piperazin-1-yl]carbonyl)pyrrolidin-2-one
Mycobacterium tuberculosis
-
-
0.01762
1-cyclohexyl-4-[(3,4-dichlorophenyl)carbonyl]piperazine
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
-
0.00351
1-cyclohexyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.05602
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.0565
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.01005
1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.03137
1-cyclohexyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00039
1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00149
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00314
1-cyclohexyl-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.000062
1-cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
best inhibitor of the sreening with an IC50: 62 nanoM
0.01679
1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.01059
1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.0145
1-cyclohexyl-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00257
1-cyclohexyl-N-(9-ethyl-9H-carbazol-2-yl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00139
1-cyclohexyl-N-9H-fluoren-4-yl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00014
1-cyclohexyl-N-[(2'-hydroxy-1,1':3',1''-terphenyl-5'-yl)methyl]-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00555
1-cyclohexyl-N-[3-(1-methylethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.0013
1-cyclohexyl-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00022
1-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00022 mM
0.00129
1-cyclooctyl-N-(2'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00022
1-decyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00022 mM
0.00185
1-[(3,4-dimethylphenyl)carbonyl]-4-[3-(trifluoromethyl)cyclohexyl]piperazine
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0008
1-[4-(2-hydroxy-4-propylphenoxy)phenyl]ethanone
Bacillus anthracis
B0Q840
-
0.00034
1-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-1-yl]ethanone
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Plasmodium falciparum
-
pH 7.5, 25C
0.00012
2-(2,4-dichlorophenoxy)-5-(2-ethylbutyl)phenol
Plasmodium falciparum
-
-
0.00029
2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol
Plasmodium falciparum
-
-
0.00018
2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol
Plasmodium falciparum
-
-
0.000076
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
Plasmodium falciparum
-
-
0.1
2-(2,4-dichlorophenoxy)-5-(2H-tetrazol-5-yl)phenol
Plasmodium falciparum
-
-
0.00044
2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
Plasmodium falciparum
-
-
0.00064
2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
Plasmodium falciparum
-
-
0.00084
2-(2,4-dichlorophenoxy)-5-(pyridin-3-ylmethyl)phenol
Plasmodium falciparum
-
-
0.00011
2-(2,4-dichlorophenoxy)-5-ethylphenol
Plasmodium falciparum
-
-
0.0002
2-(2,4-dichlorophenoxy)-5-methylphenol
Plasmodium falciparum
-
-
0.00021
2-(2,4-dichlorophenoxy)-5-propylphenol
Plasmodium falciparum
-
-
0.033
2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol
Plasmodium falciparum
-
-
0.0036
2-(2,4-dinitrophenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
-
0.00011
2-(2-amino-4-chlorophenoxy)-5-chlorophenol
Plasmodium falciparum
-
pH not specified in the publication, temperature not specified in the publication
0.007
2-(2-aminophenoxy)-5-chlorophenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0005
2-(2-chloro-4-nitrophenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
-
0.000046
2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methyl phenol
Arabidopsis thaliana
-
in 10 mM sodium phosphate, pH 7.2, at 25C
0.0203
2-(3-hydroxymethyl-phenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
-
0.008
2-(3-nitrophenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
larger than 0.008 mM
0.00036
2-(4-amino-2-chlorophenoxy)-5-chlorophenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0071
2-(4-aminophenoxy)-5-chlorophenol
Bacillus anthracis
B0Q840
-
0.0088
2-(4-aminophenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
-
0.0036
2-(4-methanesulfinylphenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
-
0.0022
2-(4-methanesulfonylphenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
-
0.0006
2-(4-methylsulfanylphenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
-
0.0011
2-(4-nitrophenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
-
0.000055
2-(4-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-hydroxyphenoxy)-5-methylbenzonitrile
Plasmodium falciparum
-
predicted IC50
0.06
2-(5-chlorothiophen-2-yl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]quinoline-4-carboxamide
Plasmodium falciparum
-
-
0.0005
2-(biphenyl-3-yloxy)-5-propylphenol
Bacillus anthracis
B0Q840
-
0.00625
2-(biphenyl-4-yloxy)-5-chlorophenol
Bacillus anthracis
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
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Plasmodium falciparum
-
IC50 above 0.1 mM
0.0000053
2-(o-tolyloxy)-5-hexylphenol
Mycobacterium tuberculosis
-
pH 6.8, temperature not specified in the publication
0.0000013
2-phenoxy-5-propylphenol
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
0.0008
2-phenoxy-5-propylphenol
Bacillus anthracis
B0Q840
larger than 0.0008 mM
0.05
2-[(3-chlorophenyl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
Plasmodium falciparum
-
-
0.01
2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
predicted IC50
0.006
2-[3-(2-hydroxy-ethyl)phenoxy]-5-propylphenol
Bacillus anthracis
B0Q840
-
0.003
2-[4-(benzylamino)-2-chlorophenoxy]-5-chlorophenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.01
3,7-dihydroxy-flavone
Plasmodium falciparum
-
IC50: 10 microM
0.0237
3-(2,4-dichlorophenoxy)-6-methoxypyridin-2(1H)-one
Bacillus anthracis
-
-
0.011
3-(2,6-dichlorobenzyl)-1,2-dimethyl-4-pyridone
Escherichia coli
-
IC50: 0.011 mM
0.0018
3-(2,6-dichlorobenzyl)-1-(4-nitrobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0018 mM
0.0018
3-(2,6-dichlorobenzyl)-1-(5-hydroxypentyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.0018 mM
0.00047
3-(2,6-dichlorobenzyl)-1-furfuryl-2-methyl-4-pyridone
Escherichia coli
-
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
Escherichia coli
-
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
Staphylococcus aureus
-
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
Escherichia coli
-
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
Escherichia coli
-
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
Escherichia coli
-
IC50: 0.120 mM
0.0007
3-benzyl-6-(benzyloxy)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.000115
3-bromo-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide
Plasmodium falciparum
-
pH not specified in the publication, temperature not specified in the publication
0.000463
3-bromo-N-[4-(trifluoromethyl)benzyl]-1-benzothiophene-2-carboxamide
Plasmodium falciparum
-
pH not specified in the publication, temperature not specified in the publication
0.0011
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzamide
Bacillus anthracis
B0Q840
-
0.0008
3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
Bacillus anthracis
B0Q840
larger than 0.008 mM
0.0007
3-chloro-4-(2-hydroxy-4-pyridin-2-ylphenoxy)benzonitrile
Plasmodium falciparum
-
-
0.0028
3-chloro-4-(2-hydroxy-4-pyridin-4-ylphenoxy)benzonitrile
Plasmodium falciparum
-
-
0.0012
3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-hydroxybenzamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00038
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzaldehyde
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00012
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00055
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00056
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzoic acid
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00012
3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile
Plasmodium falciparum
-
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
Plasmodium falciparum
-
-
0.00053
3-chloro-4-[2-hydroxy-4-(pyridin-4-ylmethyl)phenoxy]benzonitrile
Plasmodium falciparum
-
-
0.0004
3-cyclohexylmethyl-1-benzyl-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00040 mM
0.00028
3-formyl-2-phenoxy phenol
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, inhibitory activity with recombinant purified protein, IC50: 0.00028 mM
0.0013
3-formyl-2-phenoxy phenol
Escherichia coli
-
inhibitory activity with recombinant purified protein, IC50: 0.00130 mM
0.002
3-formyl-2-phenoxy phenol
Escherichia coli
-
inhibitory activity with recombinant purified protein, inhibitory activity on cultures of Escherichia coli, IC50: 0.00200 mM
0.07708
3-formyl-2-phenoxy phenol
Plasmodium falciparum
-
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
Escherichia coli
-
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
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.79627
3-hydroxy-4-phenoxy benzoic acid
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.79627 mM
0.08524
3-hydroxy-4-phenoxy benzyl alcohol
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.08524 mM
0.1
3-hydroxy-4-phenoxy benzyl alcohol
Escherichia coli
-
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
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.00028
3-hydroxy-4-phenoxybenzaldehyde
Plasmodium falciparum
-
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
Plasmodium falciparum
-
-
0.00038
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00038 mM
0.00183
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
Escherichia coli
-
inhibitory activity with recombinant purified protein, IC50: 0.00183 mM
0.01434
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
Escherichia coli
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.01434 mM
0.02084
4-(2',4'-dichlorophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02084 mM
0.00056
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00056 mM
0.00225
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
Escherichia coli
-
inhibitory activity with recombinant purified protein, IC50: 0.00225 mM
0.01916
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
Escherichia coli
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.01916 mM
0.16072
4-(2',4'-dichlorophenoxy)-3-hydroxybenzoic acid
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.16072 mM
0.0008
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00080 mM
0.00383
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
Escherichia coli
-
inhibitory activity with recombinant purified protein, IC50: 0.00383 mM
0.0148
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.01480 mM
0.04004
4-(2',4'-dichlorophenoxy)-3-hydroxybenzyl alcohol
Escherichia coli
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.04004 mM
0.0007
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00070 mM
0.0057
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
Escherichia coli
-
inhibitory activity with recombinant purified protein, IC50: 0.00570 mM
0.01845
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
Escherichia coli
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.01845 mM
0.02549
4-(2',4'-dichlorophenoxy)-3-hydroxybenzylchloride
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.02549 mM
0.03471
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.03471 mM
0.07459
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.07459 mM
0.1
4-(2',4'-dinitrophenoxy)-3-hydroxybenzaldehyde
Escherichia coli
-
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
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.08457 mM
0.1
4-(2',4'-dinitrophenoxy)-3-hydroxybenzoic acid
Escherichia coli
-
inhibitory activity with recombinant purified protein, IC50: higher than 0.100 mM
0.00044
4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol
Plasmodium falciparum
-
-
0.00023
4-(2,4-dichlorophenoxy)-3'-methylbiphenyl-3-ol
Plasmodium falciparum
-
-
0.00038
4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
Plasmodium falciparum
-
pH not specified in the publication, temperature not specified in the publication
0.021
4-(2,4-dichlorophenoxy)-3-hydroxybenzamide
Plasmodium falciparum
-
-
0.1
4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid
Plasmodium falciparum
-
-
0.000049
4-(2,4-dichlorophenoxy)-3-hydroxybenzonitrile
Plasmodium falciparum
-
-
0.000038
4-(2,4-dichlorophenoxy)-4'-fluorobiphenyl-3-ol
Plasmodium falciparum
-
-
0.00019
4-(2,4-dichlorophenoxy)-4'-methylbiphenyl-3-ol
Plasmodium falciparum
-
-
0.00014
4-(2,4-dichlorophenoxy)biphenyl-3-ol
Plasmodium falciparum
-
-
0.012
4-(4-chloro-2-hydroxyphenoxy)-1-(4-methylphenylsulphonamido)benzene
Bacillus anthracis
B0Q840
larger than 0.012 mM
0.0037
4-(benzyloxy)-1-(2-chloro-4-nitrobenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0015
4-(benzyloxy)-1-(2-chlorobenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.01411
4-(cyclohexylmethyl)-1-[(2-fluorophenyl)carbonyl]piperidine
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
-
0.00551
4-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1-cyclohexylpyrrolidin-2-one
Mycobacterium tuberculosis
-
-
0.0027
4-([[1-(2-chlorobenzyl)-2-oxo-1,2-dihydropyridin-4-yl]oxy]methyl)benzonitrile
Bacillus anthracis
-
-
0.01
4-chloro-1-(4-chloro-2-methoxyphenoxy)-2-nitrobenzene
Plasmodium falciparum
-
pH 7.5, 25C
0.1
4-hydroxy-1-(4-hydroxybenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
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
Bacillus anthracis
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
0.027
4-phenoxybenzamide adenine dinucleotide
Mycobacterium tuberculosis
-
-
0.0063
4-phenoxybenzene-1,3-diol
Bacillus anthracis
B0Q840
-
0.01
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)imino]methyl]phenol
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
-
0.0016
4-[3-(1H-benzotriazol-1-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
-
0.0025
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzamide
Escherichia coli
-
IC50: 0.0025 mM
0.022
4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoic acid
Escherichia coli
-
IC50: 0.022 mM
0.006
4-[3-(9H-carbazol-9-yl)propoxy]-1-(2-chlorobenzyl)pyridin-2(1H)-one
Bacillus anthracis
-
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
Bacillus anthracis
-
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
Plasmodium falciparum
-
predicted IC50
0.0224
4-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-4-oxobutanoic acid
Plasmodium falciparum
-
pH 7.5, 25C
-
0.0242
4-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-4-oxobutanoic acid
Plasmodium falciparum
-
pH 7.5, 25C
-
0.0036
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzamide
Bacillus anthracis
-
-
0.023
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
Bacillus anthracis
-
-
0.0238
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzoic acid
Bacillus anthracis
-
-
0.007
4-[[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]methyl]-3-chlorobenzonitrile
Bacillus anthracis
-
-
0.00053
5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
-
0.00104
5-([4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl)-1H-indole
Mycobacterium tuberculosis
-
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
Plasmodium falciparum
-
predicted IC50
0.000014
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
Plasmodium falciparum
-
predicted IC50
0.000071
5-benzyl-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
-
0.00048
5-butyl-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
-
0.089
5-chloro-2-(2,4-dichlorophenoxy)-phenol
Arabidopsis thaliana
-
in 10 mM sodium phosphate, pH 7.2, at 25C
0.0002
5-chloro-2-(2,4-dichlorophenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0214
5-chloro-2-(2,4-dichlorophenoxy)pyridine 1-oxide
Bacillus anthracis
-
-
0.00022
5-chloro-2-(2-chloro-4-hydroxyphenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0002
5-chloro-2-(2-chloro-4-morpholin-4-ylphenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00018
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0003
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
Bacillus anthracis
B0Q840
-
0.00068
5-chloro-2-(2-chloro-4-piperidin-1-ylphenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00081
5-chloro-2-(2-chloro-4-pyrrolidin-1-ylphenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0077
5-chloro-2-(2-nitrophenoxy)phenol
Bacillus anthracis
B0Q840
-
0.0025
5-chloro-2-(2-[[(2-phenylethyl)amino]methyl]phenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.035
5-chloro-2-(2-[[(4-chlorobenzyl)amino]methyl]phenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000229
5-chloro-2-(4'-chloro-2'-nitro-phenoxy)-phenol
Plasmodium falciparum
-
pH 7.5, 25C
0.015
5-chloro-2-(4-chloro-2-methoxyphenoxy)aniline
Plasmodium falciparum
-
pH 7.5, 25C
0.027
5-chloro-2-(4-chloro-2-[1-[(4-chlorobenzyl)(methyl)amino]-1-methylethyl]phenoxy)phenol
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0007
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00046
5-chloro-2-[2-chloro-4-(dimethylamino)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0008
5-chloro-2-[2-chloro-4-(hydroxymethyl)phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00031
5-chloro-2-[2-chloro-4-(methylamino)phenoxy]phenol
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.00014
5-chloro-2-[2-chloro-4-[(trifluoromethyl)sulfonyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.011
5-chloro-2-[2-[(naphthalen-1-ylamino)methyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.046
5-chloro-2-[2-[(naphthalen-2-ylamino)methyl]phenoxy]phenol
Plasmodium falciparum
-
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
Plasmodium falciparum
-
pH 7.5, 25C
0.0061
5-chloro-2-[4-chloro-2-[(4-phenylpiperazin-1-yl)methyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.019
5-chloro-2-[4-chloro-2-[(dimethylamino)methyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.027
5-chloro-2-[4-chloro-2-[(methylamino)methyl]phenoxy]phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.000022
5-cyclohexyl-2-[2-(methylamino)-4-propylphenoxy]phenol
Plasmodium falciparum
-
predicted IC50
0.01
5-methyl-N-[(1E)-(3-nitrophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
Plasmodium falciparum
-
above 0.010 mM, experimental value of newly synthesized compound based on in silico prediction
0.05
5-nitro-2-phenoxyphenol
Bacillus anthracis
B0Q840
larger than 0.050 mM
0.0000018
5-pentyl-2-phenoxyphenol
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
0.00124
5-propyl-2-(3-trifluoromethylphenoxy)phenol
Bacillus anthracis
B0Q840
-
0.000042
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
Plasmodium falciparum
-
predicted IC50
0.11
5-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]pentanoic acid
Escherichia coli
-
IC50: 0.110 mM
0.026
5-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-5-oxopentanoic acid
Plasmodium falciparum
-
pH 7.5, 25C
-
0.0286
5-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-5-oxopentanoic acid
Plasmodium falciparum
-
pH 7.5, 25C
-
0.00003
5-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-[2-methyl-4-(methylamino)phenoxy]phenol
Plasmodium falciparum
-
predicted IC50
0.00017
5-[[4-(2,4,7-trichloro-9H-fluoren-9-yl)piperazin-1-yl]carbonyl]-1H-indole
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Bacillus anthracis
-
-
0.00038
6-butyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
IC50: 0.00038 mM
0.00029
6-cyclohexylmethyl-3-(2,6-dichlorobenzyl)-2-methyl-4-pyridone
Escherichia coli
-
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
Plasmodium falciparum
-
-
0.045
6-[(5Z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Plasmodium falciparum
-
-
0.1
6-[(5Z)-5-[[3-methoxy-4-(pentyloxy)phenyl]methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
-
0.0293
6-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)phenyl]amino9-6-oxohexanoic acid
Plasmodium falciparum
-
pH 7.5, 25C
-
0.0303
6-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]amino9-6-oxohexanoic acid
Plasmodium falciparum
-
pH 7.5, 25C
-
0.00091
9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-N,N-dimethyl-9H-fluoren-2-amine
Mycobacterium tuberculosis
-
in vitro inhibitory activity data, used as dependent variable in CoMFA nad CoMSIA analysis leading to twenty structures of putative binders
0.05
apigenin
Plasmodium falciparum
-
IC50: 50 microM
0.0092
aquastatin A
Streptococcus pneumoniae
-
FabK, pH 6.5, 30C
0.0000017
artesunate
Plasmodium falciparum
-
control
0.0000087
Chloroquine
Plasmodium falciparum
-
control
0.0106
degalactosylated aquastatin A
Streptococcus pneumoniae
-
FabI, pH 6.5, 30C
0.0174
epigallocatechin gallate
Mycobacterium tuberculosis
-
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
Bacillus anthracis
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
0.001
fisetin
Plasmodium falciparum
-
IC50: 1 microM
0.005
isorhamnetin
Plasmodium falciparum
-
IC50: 5 microM
0.02
kaempferol
Plasmodium falciparum
-
IC50: 20 microM
0.002
luteolin
Plasmodium falciparum
-
IC50: 2 microM
0.03488
methyl 2-[[(1-cyclohexyl-5-oxopyrrolidin-3-yl)carbonyl]amino]benzoate
Mycobacterium tuberculosis
-
-
0.0003
methyl 4-[3-(2,6-dichlorobenzyl)-2-methyl-4-pyridon-1-yl]methylbenzoate
Escherichia coli
-
IC50: 0.00030 mM
0.1
methyl 6-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
methyl 6-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Plasmodium falciparum
-
IC50 above 0.1 mM
0.1
methyl 6-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Plasmodium falciparum
-
IC50 above 0.1 mM
0.005
morin
Plasmodium falciparum
-
IC50: 5 microM
0.0004
myricetin
Plasmodium falciparum
-
IC50: 0.4 microM
0.00041
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.01355
N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00089
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.02923
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.02312
N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.01483
N-(3-chloro-4-fluorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00135
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00394
N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.07358
N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.03741
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.02802
N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.052
N-(4-chlorobenzyl)-2-[(4-chlorobenzyl)sulfanyl]quinazolin-4-amine
Plasmodium falciparum
-
-
0.028
N-(4-chlorobenzyl)-N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]acetamide
Plasmodium falciparum
-
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
Bacillus anthracis
-
-
0.0016
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.06
N-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
Plasmodium falciparum
-
-
0.00097
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00046
N-(anthracen-9-ylmethyl)-1-bicyclo[2.2.1]hept-2-yl-N-methyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00062
N-(anthracen-9-ylmethyl)-1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00075
N-(anthracen-9-ylmethyl)-1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00032
N-(anthracen-9-ylmethyl)-1-cyclooctyl-N-methyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.00039
N-biphenyl-3-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.01
N-[(1E)-(2-chlorophenyl)methylidene]-4-phenyl-1,3-thiazol-2-amine
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Plasmodium falciparum
-
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
Mycobacterium tuberculosis
-
-
0.00339
N-[4-(benzyloxy)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
0.018
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.015
N-[5-chloro-2-(4-chloro-2-hydroxyphenoxy)benzyl]benzenesulfonamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.0122
N-[5-chloro-2-(4-chloro-2-methoxyphenoxy)phenyl]acetamide
Plasmodium falciparum
-
pH 7.5, 25C
0.00059
N-[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]benzamide
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Mycobacterium tuberculosis
-
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
Streptococcus pneumoniae
-
pH 6.5, temperature not specified in the publication
0.0118
panosialin A
Mycobacterium tuberculosis
-
pH 8.0, temperature not specified in the publication
0.0052
panosialin B
Streptococcus pneumoniae
-
pH 6.5, temperature not specified in the publication
0.0085
panosialin B
Mycobacterium tuberculosis
-
pH 8.0, temperature not specified in the publication
0.0052
panosialin wA
Streptococcus pneumoniae
-
pH 6.5, temperature not specified in the publication
0.0096
panosialin wA
Mycobacterium tuberculosis
-
pH 8.0, temperature not specified in the publication
0.0055
panosialin wB
Streptococcus pneumoniae
-
pH 6.5, temperature not specified in the publication
0.0091
panosialin wB
Mycobacterium tuberculosis
-
pH 8.0, temperature not specified in the publication
0.01005
pyrrolidine carboxamide
Mycobacterium tuberculosis
-
IC50: 10.05 microM, chosen as a lead structure for further structure optimization
0.0015
quercetin
Plasmodium falciparum
-
IC50: 1.5 microM
0.00000157
triclosan
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
0.000033
triclosan
Plasmodium falciparum
-
mutant A372V, pH not specified in the publication, temperature not specified in the publication
0.000035
triclosan
Plasmodium falciparum
-
mutant A372M, pH not specified in the publication, temperature not specified in the publication
0.00006
triclosan
Eimeria tenella
-
-
0.000066
triclosan
Plasmodium falciparum
-
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
Plasmodium falciparum
-
-
0.000073
triclosan
Plasmodium falciparum
-
pH 7.5, 25C
0.000089
triclosan
Plasmodium falciparum
-
pH not specified in the publication, temperature not specified in the publication
0.0002
triclosan
Plasmodium falciparum
-
inhibitory activity with recombinant purified protein, IC50: 0.00020 mM
0.0005
triclosan
Bacillus anthracis
-
-
0.00051
triclosan
Escherichia coli
-
IC50: 0.00051 mM
0.00051
triclosan
Escherichia coli
-
wild type enzyme, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0006
triclosan
Bacillus anthracis
B0Q840
-
0.00075
triclosan
Escherichia coli
-
inhibitory activity on cultures of Escherichia coli, IC50: 0.00075 mM
0.0008
triclosan
Plasmodium falciparum
-
inhibitory activity on cultures of Plasmodium falciparum, IC50: 0.00080 mM
0.00145
triclosan
Eimeria tenella
A3R4P1
recombinant enzyme, in 0.1 mM Tris-HCl buffer (pH 7.2)
0.00201
triclosan
Escherichia coli
-
inhibitory activity with recombinant purified protein, IC50: 2.01 microM
0.0028
triclosan
Mycobacterium tuberculosis
-
in 30 mM PIPES buffer, 150 mM NaCl, 10% glycerol (pH 8.0)
0.0038
triclosan
Staphylococcus aureus
-
in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.0099
triclosan
Escherichia coli
-
mutant enzyme G93V, in 0.1 M sodium N-(2-acetamido)-iminodiacetic acid (pH 6.5)
0.016
triclosan
Bacillus subtilis
P54616
-
0.071
triclosan
Yersinia pestis
Q8Z9U1
pH 6.8, 25C
0.00019
[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetonitrile
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
0.1
[4-(benzyloxy)-2-oxopyridin-1(2H)-yl]acetonitrile
Bacillus anthracis
-
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
Plasmodium falciparum
-
predicted IC50
0.00028
[9-[4-(1H-indol-5-ylcarbonyl)piperazin-1-yl]-9H-fluoren-2-yl]carbamic acid
Mycobacterium tuberculosis
-
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
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
additional information
2-(3-dimethylaminophenoxy)-5-propylphenol
Bacillus anthracis
B0Q840
12.6% inhibition at 1 microM
0.01
2-[2-[(benzylamino)methyl]phenoxy]-5-chlorophenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
additional information
2-[3-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
Bacillus anthracis
B0Q840
9.9% inhibition at 1 microM
additional information
2-[3-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
Bacillus anthracis
B0Q840
20.6% inhibition at 1 microM
0.00016
2-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]-2-oxoacetamide
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
additional information
2-[4-(1-hydroxyethyl)phenoxy]-5-propylphenol
Bacillus anthracis
B0Q840
17.1% inhibition at 1 microM
additional information
2-[4-(2-hydroxy-4-chlorophenoxy)phenoxy]-5-chlorophenol
Bacillus anthracis
B0Q840
15.5% inhibition at 1 microM
additional information
2-[4-(2-hydroxy-4-propylphenoxy)phenoxy]-5-propylphenol
Bacillus anthracis
B0Q840
10.0% inhibition at 1 microM
0.0188
3-(2-chlorophenoxy)-6-methoxypyridin-2(1H)-one
Bacillus anthracis
-
-
additional information
3-(2-hydroxy-4-propylphenoxy)benzoic acid
Bacillus anthracis
B0Q840
9.2% inhibition at 1 microM
0.002
3-(2-hydroxy-4-propylphenoxy)benzoic acid methylester
Bacillus anthracis
B0Q840
-
additional information
3-(3-hydroxy-4-phenoxyphenyl)propane-1,2-diol
Bacillus anthracis
B0Q840
9.8% inhibition at 1 microM
0.00625
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]acrylic acid methylester
Bacillus anthracis
B0Q840
larger than 0.00625 mM
additional information
3-[3-(2-hydroxy-4-propylphenoxy)phenyl]propionic acid
Bacillus anthracis
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
Bacillus anthracis
B0Q840
-
additional information
3-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]pyridine
Bacillus anthracis
B0Q840
0.5% inhibition at 1 microM
0.1
5-(2-chlorophenoxy)-2-methoxypyridine 1-oxide
Bacillus anthracis
-
IC50 above 0.1 mM; larger than 0.1, inhibition is less than 30% at 0.1 mM
additional information
5-(benzylaminomethyl)-2-phenoxyphenol
Bacillus anthracis
B0Q840
7.9% inhibition at 1 microM
0.022
5-chloro-2-(4-chloro-2-[[(4-chlorobenzyl)(methyl)amino]methyl]phenoxy)phenol
Plasmodium falciparum
-
compound of training and test sets for the CoMFA and CoMSIA studies
additional information
5-chloro-2-(4-hydroxyphenoxy)phenol
Bacillus anthracis
B0Q840
2.6% inhibition at 1 microM
additional information
5-chloro-2-(4-nitrophenoxy)phenol
Bacillus anthracis
B0Q840
7.2% inhibition at 1 microM
additional information
5-chloro-2-phenoxyaniline
Bacillus anthracis
B0Q840
4.4% inhibition at 1 microM
0.0005
5-chloro-2-phenoxyphenol
Bacillus anthracis
B0Q840
-
additional information
5-chloro-2-phenoxyphenylmethanol
Bacillus anthracis
B0Q840
1.8% inhibition at 1 microM
0.00000051
5-ethyl-2-phenoxyphenol
Burkholderia pseudomallei
Q3JQY0
pH 6.8, 25C
additional information
5-hydroxymethyl-2-phenoxyphenol
Bacillus anthracis
B0Q840
5.0% inhibition at 1 microM
0.00085
N-[3-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Mycobacterium tuberculosis
-
-
additional information
N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
Bacillus anthracis
B0Q840
1.6% inhibition at 1 microM
SPECIFIC ACTIVITY [µmol/min/mg]
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
0.0036
-
parenchyma
0.00608
-
reductase II
0.008
-
epidermis
0.0153
-
reductase I
0.14
FabI protein; spectrophotometric assay, S-((2E)-oct-2-enoyl)-N-acetylcysteamine as a substrate
0.18
YgaA protein
2.3
spectrophotometric assay, (2E)-but-2-enoyl-[acyl carrier protein] as a substrate
additional information
-
specific activity of reductase I and II incrude extracts
additional information
-
-
additional information
-
specific activities in temperature sensitive mutants
pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
6
-
in 3-(N-morpholino)propane sulfonate buffer
6 - 7.5
-
-
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
-
activity assay
7.5
-
assay at
pH RANGE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
4.5 - 8.5
-
-
TEMPERATURE OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
6.5
-
reductase I
7.1
-
reductase II
20
-
FabI-inhibitory activity assay at room temperature
22
assay at room temperature
23
-
activity assay
25
-
activity assay
30
B0Q840
activity assay
35
-
antibacterial activity assay
SOURCE TISSUE
ORGANISM
UNIPROT
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
COMMENTARY
GeneOntology No.
LITERATURE
SOURCE
-
thylakoid membrane
Manually annotated by BRENDA team
PDB
SCOP
CATH
ORGANISM
UNIPROT
Anaplasma phagocytophilum (strain HZ)
Anaplasma phagocytophilum (strain HZ)
Aquifex aeolicus (strain VF5)
Bacillus cereus (strain ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 / NCIMB 9373 / NRRL B-3711)
Bacillus cereus (strain ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 / NCIMB 9373 / NRRL B-3711)
Bacillus subtilis (strain 168)
Bacillus subtilis (strain 168)
Bartonella henselae (strain ATCC 49882 / DSM 28221 / Houston 1)
Brucella melitensis biotype 1 (strain 16M / ATCC 23456 / NCTC 10094)
Burkholderia pseudomallei (strain 1026b)
Burkholderia pseudomallei (strain 1710b)
Escherichia coli (strain B / BL21-DE3)
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 SCHU S4 / Schu 4)
Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
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 tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)