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Literature summary for 1.3.1.9 extracted from

  • Prasad, M.S.; Bhole, R.P.; Khedekar, P.B.; Chikhale, R.V.
    Mycobacterium enoyl acyl carrier protein reductase (InhA) A key target for antitubercular drug discovery (2021), Bioorg. Chem., 115, 105242 .
    View publication on PubMed
Search for more literature for 1.3.1.9

Application

Application Comment Organism
medicine the enzyme is a target for development of anti-tuberculosis drugs Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
(2E)-1-[4-(1H-pyrrol-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
-
 Mycobacterium tuberculosis
(2E)-3-(4-methoxyphenyl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
-
 Mycobacterium tuberculosis
(2E)-3-(4-methylphenyl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
-
 Mycobacterium tuberculosis
(2E)-3-(6-fluorocyclohexa-1,5-dien-1-yl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
-
 Mycobacterium tuberculosis
(2E)-3-[(4Z)-4-ethylidenecyclohexa-1,5-dien-1-yl]-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
-
 Mycobacterium tuberculosis
2-(4-chlorophenoxy)-5-(1H-1,2,3-triazol-1-yl)phenol
-
 Mycobacterium tuberculosis
2-(4-chlorophenoxy)-5-cyclohexylphenol
-
 Mycobacterium tuberculosis
2-(4-chlorophenoxy)-5-hexylphenol
-
 Mycobacterium tuberculosis
2-(4-chlorophenoxy)-5-[4-(1H-1,2,3-triazol-1-yl)butyl]phenol
-
 Mycobacterium tuberculosis
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide 88.12% inhibition at 0.01 mM Mycobacterium tuberculosis
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-[(furan-2-yl)methyl]acetamide 78.12% inhibition at 0.01 mM Mycobacterium tuberculosis
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide 58.34% inhibition at 0.01 mM Mycobacterium tuberculosis
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide 80.12% inhibition at 0.01 mM Mycobacterium tuberculosis
3-[(2E)-2-benzylidenehydrazinyl]-N-(2,4-dichlorophenyl)-1,2,4-thiadiazol-5-amine
-
 Mycobacterium tuberculosis
3-[(2E)-2-benzylidenehydrazinyl]-N-(4-bromophenyl)-1,2,4-thiadiazol-5-amine
-
 Mycobacterium tuberculosis
3-[(2E)-2-benzylidenehydrazinyl]-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
-
 Mycobacterium tuberculosis
3-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-N-phenyl-1,2,4-thiadiazol-5-amine
-
 Mycobacterium tuberculosis
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
-
 Mycobacterium tuberculosis
4-(4-chlorophenoxy)[1,1'-biphenyl]-3-ol
-
 Mycobacterium tuberculosis
Ethionamide
-
 Mycobacterium tuberculosis
isoniazid
-
 Mycobacterium tuberculosis
N-(4-bromophenyl)-3-{(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl}-1,2,4-thiadiazol-5-amine
-
 Mycobacterium tuberculosis
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide 72.18% inhibition at 0.01 mM Mycobacterium tuberculosis
prothionamide
-
 Mycobacterium tuberculosis
triclosan
-
 Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+ Mycobacterium tuberculosis
-
 acyl-[acyl-carrier protein] + NAD+
-
 ?
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+ Mycobacterium tuberculosis H37Rv
-
 acyl-[acyl-carrier protein] + NAD+
-
 ?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WGR1
-
-
Mycobacterium tuberculosis H37Rv P9WGR1
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+
-
 Mycobacterium tuberculosis acyl-[acyl-carrier protein] + NAD+
-
 ?
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+
-
 Mycobacterium tuberculosis H37Rv acyl-[acyl-carrier protein] + NAD+
-
 ?

Synonyms

Synonyms Comment Organism
2-trans enoyl-ACP-reductase
-
 Mycobacterium tuberculosis
InhA
-
 Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
NADH
-
 Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.001
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(4-chlorophenoxy)-5-(1H-1,2,3-triazol-1-yl)phenol
0.001
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(4-chlorophenoxy)-5-[4-(1H-1,2,3-triazol-1-yl)butyl]phenol
0.00312
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
0.004
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(4-chlorophenoxy)-5-cyclohexylphenol
0.004
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(4-chlorophenoxy)-5-hexylphenol
0.004
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 4-(4-chlorophenoxy)-3-hydroxybenzonitrile
0.00452
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-[(furan-2-yl)methyl]acetamide
0.00456
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
0.00512
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
0.00778
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide
0.008
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 4-(4-chlorophenoxy)[1,1'-biphenyl]-3-ol
0.0125
-
 IC50 below 0.0125 mM, pH and temperature not specified in the publication Mycobacterium tuberculosis triclosan
0.0792
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis (2E)-3-[(4Z)-4-ethylidenecyclohexa-1,5-dien-1-yl]-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
0.099
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis (2E)-1-[4-(1H-pyrrol-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
0.198
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis (2E)-3-(4-methylphenyl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
0.198
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis (2E)-3-(6-fluorocyclohexa-1,5-dien-1-yl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one
0.2475
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis (2E)-3-(4-methoxyphenyl)-1-[4-(1H-pyrrol-1-yl)phenyl]prop-2-en-1-one