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Literature summary extracted from

  • Pal, M.; Easton, N.; Yaphe, H.; Bearne, S.
    Potent dialkyl substrate-product analogue inhibitors and inactivators of alpha-methylacyl-coenzyme A racemase from Mycobacterium tuberculosis by rational design (2018), Bioorg. Chem., 77, 640-650 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
5.1.99.4 additional information N,N-dialkylcarbamoyl-CoA substrate-product analogues inactivate MCR. Binding exceeds that of the substrate, (S)-ibuprofenoyl-CoA, up to 250fold and is proportional to the alkyl chain length (4-12 carbons). The presence of two decyl chains enhances binding over a single decyl chain by 204fold Mycobacterium tuberculosis
5.1.99.4 N,N-didecylcarbamoyl-CoA time-dependent inactivator Mycobacterium tuberculosis
5.1.99.4 N,N-didodecylcarbamoyl-CoA time-dependent inactivator Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
5.1.99.4 Mycobacterium tuberculosis
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
5.1.99.4 (S)-ibuprofenoyl-CoA
-
 Mycobacterium tuberculosis (R)-ibuprofenoyl-CoA
-
 ?

Synonyms

EC Number Synonyms Comment Organism
5.1.99.4 MCR
-
 Mycobacterium tuberculosis

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
5.1.99.4 0.00042
-
 N,N-didodecylcarbamoyl-CoA pH 8.0, 37°C Mycobacterium tuberculosis
5.1.99.4 0.0019
-
 N,N-didecylcarbamoyl-CoA pH 8.0, 37°C Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
5.1.99.4 0.004
-
 pH 8.0, 37°C Mycobacterium tuberculosis N,N-didodecylcarbamoyl-CoA
5.1.99.4 0.0316
-
 pH 8.0, 37°C Mycobacterium tuberculosis N,N-didecylcarbamoyl-CoA