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Literature summary for 6.3.2.4 extracted from

  • Triola, G.; Wetzel, S.; Ellinger, B.; Koch, M.; Huebel, K.; Rauh, D.; Waldmann, H.
    ATP competitive inhibitors of D-alanine-D-alanine ligase based on protein kinase inhibitor scaffolds (2008), Bioorg. Med. Chem., 17, 1079-1087.
    View publication on PubMed

Activating Compound

Activating Compound Comment Organism Structure
A771726 a leflunomide metabolite, slightly activating Escherichia coli
N-(2,5-dibromophenyl)-2-oxopropanamide slightly activating Escherichia coli

Application

Application Comment Organism
drug development the enzyme is a target for antibiotic inhibitor development, overview Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
(2Z)-N-(2-chloro-6-methylphenyl)-2-ethynyl-3-hydroxybut-2-enamide
-
Escherichia coli
D-cycloserine competitive inhibitor Escherichia coli
diazenocarboxamide
-
Escherichia coli
H-1004 slight inhibition Escherichia coli
leflunomide an antirheumatic drug Escherichia coli
LFM-A12 an analog of the Leflunomide metabolite A771726 Escherichia coli
LFM-A13 Brutons's tyrosine kinase inhibitor, an analog of the Leflunomide metabolite A771726 Escherichia coli
LY294002 slight inhibition Escherichia coli
additional information antibiotic inhibitor design, bisubstrate inhibitors that block the ATP and D-Ala binding sites exhibit enhanced selectivity and potency profiles by preferentially inhibiting DDl over kinases, overview Escherichia coli
N-(2,5-dibromophenyl)-2-oxopropanamide
-
Escherichia coli
Olomoucine
-
Escherichia coli
piceatannol slight inhibition Escherichia coli
quercetin
-
Escherichia coli
tyrphostin 47 competitive versus ATP Escherichia coli
tyrphostin 51 mixed-type inhibition Escherichia coli
Wortmannin slight inhibition Escherichia coli
[3-chloro-2,2-dimethyl-N-4(trimethylfluoro)phenyl]propanamide
-
Escherichia coli

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+
-
Escherichia coli

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + D-alanine Escherichia coli
-
ADP + phosphate + D-alanyl-D-alanine
-
?
additional information Escherichia coli DDl is an essential enzyme in bacterial cell wall biosynthesis ?
-
?

Organism

Organism UniProt Comment Textmining
Escherichia coli P07862 two isoforms of DDl, DDlA and DDlB
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + D-alanine
-
Escherichia coli ADP + phosphate + D-alanyl-D-alanine
-
?
additional information DDl is an essential enzyme in bacterial cell wall biosynthesis Escherichia coli ?
-
?

Synonyms

Synonyms Comment Organism
DD1
-
Escherichia coli
DDI
-
Escherichia coli

Cofactor

Cofactor Comment Organism Structure
ATP
-
Escherichia coli

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.185
-
D-cycloserine
-
Escherichia coli
0.185
-
LFM-A13
-
Escherichia coli
0.215
-
N-(2,5-dibromophenyl)-2-oxopropanamide
-
Escherichia coli
0.29
-
tyrphostin 47
-
Escherichia coli
1.4
-
LY294002
-
Escherichia coli
1.8
-
Olomoucine
-
Escherichia coli