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Literature summary for 1.3.1.9 extracted from

  • Rodriguez, F.; Saffon, N.; Sammartino, J.; Degiacomi, G.; Pasca, M.; Lherbet, C.
    First triclosan-based macrocyclic inhibitors of InhA enzyme (2020), Bioorg. Chem., 95, 103498 .
    View publication on PubMed
Search for more literature for 1.3.1.9

Inhibitors

Inhibitors Comment Organism Structure
2,13-dioxapentacyclo[18.2.2.23,6.29,12.214,17]triaconta-1(22),3,5,9,11,14,16,20,23,25,27,29-dodecaene-4,11-diol 52% inhibition at 0.05 mM Mycobacterium tuberculosis
2,13-dioxapentacyclo[18.2.2.23,6.29,12.214,17]triaconta-1(22),3,5,9,11,14,16,20,23,25,27,29-dodecaene-4,15-diol 93% inhibition at 0.05 mM Mycobacterium tuberculosis
neomarchantin A
-
 Mycobacterium tuberculosis
pyridomycin
-
 Mycobacterium tuberculosis
riccardin C
-
 Mycobacterium tuberculosis
triclosan complete inhibition at 0.05 mM, 58% inhibition at 0.0005 mM 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
-
 enolyl-[acyl-carrier protein] + NAD+
-
 ?
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+ Mycobacterium tuberculosis H37Rv
-
 enolyl-[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-2-dodecenoyl-CoA + NADH + H+
-
 Mycobacterium tuberculosis dodecanoyl-CoA + NAD+
-
 ?
trans-2-dodecenoyl-CoA + NADH + H+
-
 Mycobacterium tuberculosis H37Rv dodecanoyl-CoA + NAD+
-
 ?
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+
-
 Mycobacterium tuberculosis enolyl-[acyl-carrier protein] + NAD+
-
 ?
trans-DELTA2-enolyl-[acyl-carrier protein] + NADH + H+
-
 Mycobacterium tuberculosis H37Rv enolyl-[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
0.0047
-
 at pH 6.8 and 25°C Mycobacterium tuberculosis 2,13-dioxapentacyclo[18.2.2.23,6.29,12.214,17]triaconta-1(22),3,5,9,11,14,16,20,23,25,27,29-dodecaene-4,15-diol