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Literature summary extracted from

  • Hung, A.W.; Silvestre, H.L.; Wen, S.; George, G.P.; Boland, J.; Blundell, T.L.; Ciulli, A.; Abell, C.
    Optimization of inhibitors of Mycobacterium tuberculosis pantothenate synthetase based on group efficiency analysis (2016), ChemMedChem, 11, 38-42 .
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.3.2.1 (2-[[(1-benzofuran-2-carbonyl)amino]methyl]-5-methoxy-1H-indol-1-yl)acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 (2-[[(1-benzofuran-2-sulfonyl)amino]methyl]-5-methoxy-1H-indol-1-yl)acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 (2-[[(1-benzofuran-2-yl)methoxy]carbonyl]-5-methoxy-1H-indol-1-yl)acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 (5-methoxy-2-[[2-nitro-4-(trifluoromethyl)benzene-1-sulfonyl]carbamoyl]-1H-indol-1-yl)acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 (5-methoxy-2-[[4-(trifluoromethyl)benzene-1-sulfonyl]carbamoyl]-1H-indol-1-yl)acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 additional information construction of inhibitor molecules with optimized binding efficiencies, the stepwise growing of an indole fragment leads to the generation of a lead compound, analysis of the binding kinetics of the compounds, overview Mycobacterium tuberculosis
6.3.2.1 [2-[(1-benzofuran-2-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [2-[(4-acetamidobenzene-1-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [2-[(4-acetylpiperazine-1-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [2-[(4-tert-butylbenzene-1-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [2-[(5-acetamido-1,3,4-thiadiazole-2-sulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [5-methoxy-2-[(4-methoxybenzene-1-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [5-methoxy-2-[(4-methylbenzene-1-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [5-methoxy-2-[(5-methylpyridine-2-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [5-methoxy-2-[(morpholine-4-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [5-methoxy-2-[(naphthalene-2-sulfonyl)carbamoyl]-1H-indol-1-yl]acetic acid
-
 Mycobacterium tuberculosis

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
6.3.2.1 Mg2+ required Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
6.3.2.1 ATP + (R)-pantoate + beta-alanine Mycobacterium tuberculosis
-
 AMP + diphosphate + (R)-pantothenate
-
 ?
6.3.2.1 ATP + (R)-pantoate + beta-alanine Mycobacterium tuberculosis ATCC 25618 / H37Rv
-
 AMP + diphosphate + (R)-pantothenate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
6.3.2.1 Mycobacterium tuberculosis P9WIL5
-
-
6.3.2.1 Mycobacterium tuberculosis ATCC 25618 / H37Rv P9WIL5
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
6.3.2.1 ATP + (R)-pantoate + beta-alanine
-
 Mycobacterium tuberculosis AMP + diphosphate + (R)-pantothenate
-
 ?
6.3.2.1 ATP + (R)-pantoate + beta-alanine
-
 Mycobacterium tuberculosis ATCC 25618 / H37Rv AMP + diphosphate + (R)-pantothenate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
6.3.2.1 PanC
-
 Mycobacterium tuberculosis
6.3.2.1 Pantothenate synthetase
-
 Mycobacterium tuberculosis

Cofactor

EC Number Cofactor Comment Organism Structure
6.3.2.1 ATP
-
 Mycobacterium tuberculosis

General Information

EC Number General Information Comment Organism
6.3.2.1 physiological function pantothenate synthetase catalyzes the ATP-dependent formation of an amide bond between pantoate and beta-alanine Mycobacterium tuberculosis