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Literature summary extracted from

  • Venkatraman, J.; Bhat, J.; Solapure, S.M.; Sandesh, J.; Sarkar, D.; Aishwarya, S.; Mukherjee, K.; Datta, S.; Malolanarasimhan, K.; Bandodkar, B.; Das, K.S.
    Screening, identification, and characterization of mechanistically diverse inhibitors of the Mycobacterium tuberculosis enzyme, pantothenate kinase (CoaA) (2012), J. Biomol. Screen., 17, 293-302.
    View publication on PubMed

Cloned(Commentary)

EC Number Cloned (Comment) Organism
2.7.1.33 expressed in Escherichia coli BL21(DE3) cells Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.33 1,4-dioxa-8-azaspiro[4.5]dec-8-yl[2-[(3-fluorophenyl)sulfanyl]pyridin-4-yl]methanone mixed non-competitive inhibition Mycobacterium tuberculosis
2.7.1.33 2-[2-(1-benzoylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide uncompetitive inhibition Mycobacterium tuberculosis
2.7.1.33 N-[1-(5-[[2-(4-chlorophenoxy)ethyl]sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]naphthalene-1-carboxamide competitive inhibition Mycobacterium tuberculosis
2.7.1.33 [2-[(3-chlorophenyl)sulfanyl]pyridin-4-yl][4-(hydroxymethyl)piperidin-1-yl]methanone mixed non-competitive inhibition Mycobacterium tuberculosis
2.7.1.33 [2-[(3-chlorophenyl)sulfanyl]quinolin-4-yl](piperidin-1-yl)methanone mixed non-competitive inhibition Mycobacterium tuberculosis
2.7.1.33 [[2-[[4-(6-methylpyridin-2-yl)piperazin-1-yl]methyl]-4'-(trifluoromethoxy)biphenyl-4-yl]oxy]acetic acid mixed non-competitive inhibition Mycobacterium tuberculosis

Organism

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

Purification (Commentary)

EC Number Purification (Comment) Organism
2.7.1.33 Ni-NTA column chromatography Mycobacterium tuberculosis

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.1.33 ATP + (R)-pantothenate
-
 Mycobacterium tuberculosis ADP + (R)-4'-phosphopantothenate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.7.1.33 CoaA
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.7.1.33 0.00007
-
 in 50 mM PIPES-NaOH (pH 7.0), 25 mM KCl, 20 mM MgCl, at 25°C Mycobacterium tuberculosis N-[1-(5-[[2-(4-chlorophenoxy)ethyl]sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]naphthalene-1-carboxamide
2.7.1.33 0.00024
-
 in 50 mM PIPES-NaOH (pH 7.0), 25 mM KCl, 20 mM MgCl, at 25°C Mycobacterium tuberculosis [2-[(3-chlorophenyl)sulfanyl]pyridin-4-yl][4-(hydroxymethyl)piperidin-1-yl]methanone
2.7.1.33 0.00042
-
 in 50 mM PIPES-NaOH (pH 7.0), 25 mM KCl, 20 mM MgCl, at 25°C Mycobacterium tuberculosis [2-[(3-chlorophenyl)sulfanyl]pyridin-4-yl][4-(hydroxymethyl)piperidin-1-yl]methanone
2.7.1.33 0.00082
-
 in 50 mM PIPES-NaOH (pH 7.0), 25 mM KCl, 20 mM MgCl, at 25°C Mycobacterium tuberculosis [[2-[[4-(6-methylpyridin-2-yl)piperazin-1-yl]methyl]-4'-(trifluoromethoxy)biphenyl-4-yl]oxy]acetic acid
2.7.1.33 0.00087
-
 in 50 mM PIPES-NaOH (pH 7.0), 25 mM KCl, 20 mM MgCl, at 25°C Mycobacterium tuberculosis [2-[(3-chlorophenyl)sulfanyl]quinolin-4-yl](piperidin-1-yl)methanone
2.7.1.33 0.00257
-
 in 50 mM PIPES-NaOH (pH 7.0), 25 mM KCl, 20 mM MgCl, at 25°C Mycobacterium tuberculosis 2-[2-(1-benzoylpiperidin-4-yl)-5-methyl-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
2.7.1.33 0.0084
-
 in 50 mM PIPES-NaOH (pH 7.0), 25 mM KCl, 20 mM MgCl, at 25°C Mycobacterium tuberculosis 1,4-dioxa-8-azaspiro[4.5]dec-8-yl[2-[(3-fluorophenyl)sulfanyl]pyridin-4-yl]methanone