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6.3.2.10: UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase

This is an abbreviated version!
For detailed information about UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase, go to the full flat file.

Word Map on EC 6.3.2.10

Reaction

ATP
+
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine
 +
D-alanyl-D-alanine
=
ADP
 +
phosphate
 +
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine

Synonyms

AbMurF, ATP-dependent UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase, D-Ala-D-Ala-adding enzyme, More, MurF, MurF1, Synthetase, uridine diphosphoacetylmuramoylpentapeptide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine synthetase, UDP-N-acetylmuramoylalanyl-D-glutamyl-lysine-D-alanyl-D-alanine ligase, UDPacetylmuramoylpentapeptide synthetase, Uridine diphosphoacetylmuramoylpentapeptide synthetase

ECTree

     6 Ligases
         6.3 Forming carbon-nitrogen bonds
             6.3.2 Acid—amino-acid ligases (peptide synthases)
                6.3.2.10 UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase

Inhibitors

Inhibitors on EC 6.3.2.10 - UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase

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INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
(2R,4R)-4-(3,7-dimethoxynaphthalen-2-yl)-1-(dimethylamino)-3,4-diphenylbutan-2-ol
-
modest activity against lipopolysaccharide-defective Escherichia coli and wild-type Escherichia coli rendered permeable with polymyxin B nonapeptide. Treatment of lipopolysaccharide-defective Escherichia coli cells with >2fold minimal inhibitory concentrations of DQ1 results in a 75-fold-greater accumulation of the MurF substrate compared to the control, a 70% decline in the amount of the MurF product, and eventual cell lysis, consistent with the inhibition of MurF within bacteria
(2S,4R)-4-(3,7-dimethoxynaphthalen-2-yl)-1-(dimethylamino)-3,4-diphenylbutan-2-ol
-
additionally active against Gram-positive bacteria, including methicillin-susceptible and -resistant Staphylococcus aureus isolates and vancomycin-susceptible and -resistant Enterococcus faecalis and Enterococcus faecium isolates
1,4-diaminoanthra-9,10-quinone
pIC50 predicted by comparative residue interaction analysis: 5.0, pIC50 predicted by comparative molecular field analysis:5.5
1-(azepan-1-ylmethyl)-2-naphthol
pIC50 predicted by comparative residue interaction analysis: 5.7, pIC50 predicted by comparative molecular field analysis: 5.9
1-(cyclohexylmethyl)piperazine
pIC50 predicted by comparative residue interaction analysis: 5.5, pIC50 predicted by comparative molecular field analysis: 6.2
1-[[(4-trifluoromethylphenyl)sulfonyl]amino]-3-(morpholin-4-yl)propan-2-yl dihydrogen phosphate
-
-
2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide
-
2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
-
2,4-dichloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-methoxyethyl)(methyl)sulfamoyl]benzamide
-
2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
-
2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(morpholin-4-ylsulfonyl)benzamide
-
2-(4-methylphenyl)pyrrolo[2,1-a]isoquinoline
pIC50 predicted by comparative residue interaction analysis: 5.1, pIC50 predicted by comparative molecular field analysis: 5.6
2-(propylamino)ethyl 4-amino-3-propoxybenzoate
-
-
2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxamide
-
2-bromo-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-2-thienyl)-5-[(diethylamino)sulfonyl]benzamide
-
2-chloro-N-(3-cyano-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-2-yl)-5-[(4-hydroxybutyl)sulfamoyl]benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-4-fluoro-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(methylamino)sulfonyl]benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[[(3-hydroxypropyl)amino]sulfonyl]benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-4-(methylamino)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(piperidin-1-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(diethylsulfamoyl)benzamide
-
2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide
-
-
2-chloro-N-[3-cyano-5-(2-pyridin-2-ylethyl)thiophen-2-yl]-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
-
2-thioxo-3-[4-(trifluoromethoxy)phenyl]-2,3-dihydroquinazolin-4(1H)-one
-
-
3-anilinocyclohex-2-en-1-one
pIC50 predicted by comparative residue interaction analysis: 5.2, pIC50 predicted by comparative molecular field analysis: 5.5
3-imino-3,4-dihydroisoquinolin-1(2H)-one
pIC50 predicted by comparative residue interaction analysis: 5.2, pIC50 predicted by comparative molecular field analysis: 5.6
4,6-dimethyl-1-[[(1E)-phenylmethylene]amino]pyridin-2(1H)-one
pIC50 predicted by comparative residue interaction analysis: 5.1, pIC50 predicted by comparative molecular field analysis: 4.6
4-(4-methylpiperazin-1-yl)aniline
pIC50 predicted by comparative residue interaction analysis: 5.7, pIC50 predicted by comparative molecular field analysis: 6.1
4-[(pentachlorobenzyl)sulfanyl]-6-sulfanyl-1,3,5-triazin-2-ol
-
i.e. NSC 209931, inhibitor identified by structure-based virtual screening
5-(aminosulfonyl)-2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)benzamide
-
5-(anilinosulfonyl)-2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)benzamide
-
6-piperazin-1-yl-1H-benzo[de]isoquinoline-1,3(2H)-dione
pIC50 predicted by comparative residue interaction analysis: 5.4, pIC50 predicted by comparative molecular field analysis: 5.8
acetate
-
inhibition of wild-type enzyme
Butylamine
-
inhibition of wild-type and mutant K202A; inhibition of wild-type enzyme
Butyrate
-
slight inhibition of wild-type enzyme
ethyl 2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate
-
ethylamine
-
inhibition of wild-type enzyme
formate
-
inhibition of wild-type enzyme
methylamine
-
inhibition of wild-type enzyme
N-(3-aminopropyl)-4-(trifluoromethyl)-2-([4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl)pyrimidine-5-carboxamide
-
-
N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-2-[[3-(dimethylamino)propyl]amino]-5-(morpholin-4-ylsulfonyl)benzamide
-
N-(4-carbamimidoylphenyl)-4-(trifluoromethyl)-2-([4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl)pyrimidine-5-carboxamide
-
-
N-(5-bromo-3-cyano-2-thienyl)-2-chloro-5-[(diethylamino)sulfonyl]benzamide
-
N-[3-(cyclopentylamino)propyl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethyl)pyrimidine-5-carboxamide
-
-
propionate
-
inhibition of wild-type enzyme
Propylamine
-
inhibition of wild-type enzyme
additional information
design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de dovo design
-