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Literature summary for 1.3.1.98 extracted from

  • Kumar, V.; Saravanan, P.; Arvind, A.; Mohan, C.G.
    Identification of hotspot regions of MurB oxidoreductase enzyme using homology modeling, molecular dynamics and molecular docking techniques (2011), J. Mol. Model., 17, 939-953.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(4S)-1,2-bis(4-chlorophenyl)-5-[2-(2,4-difluorophenyl)-2-oxoethoxy]-4-methylpyrazolidin-3-one
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4,4-bis(6-phenylhexyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4,4-bis[2-(2,4-difluorophenyl)-2-oxoethyl]pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(2,4-dichlorobenzyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(2-ethylbutyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(2-phenylethyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(3-methoxybenzyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(3-oxo-3-phenylpropyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(3-phenylpropyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(4-oxo-4-phenylbutyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(4-phenylbutyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(5-phenylpentyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-(6-phenylhexyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-heptylpyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methylpyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
1,2-bis(4-chlorophenyl)-4-[3-(trifluoromethyl)benzyl]pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
4'-[[1,2-bis(4-chlorophenyl)-3,5-dioxopyrazolidin-4-yl]methyl]biphenyl-2-carbonitrile
-
Mycobacterium tuberculosis
4,4-bis[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
4-(2-chlorobenzyl)-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
4-benzyl-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
4-[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)-4-methylpyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
4-[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
4-[2-(benzylsulfanyl)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
4-[2-[benzyl(ethyl)amino]ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis
4-[3,5-bis(trifluoromethyl)benzyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
-
Mycobacterium tuberculosis

Localization

Localization Comment Organism GeneOntology No. Textmining
cytoplasm
-
Mycobacterium tuberculosis 5737
-

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WJL9
-
-
Mycobacterium tuberculosis H37Rv P9WJL9
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
UDP-N-acetylenolpyruvylglucosamine + NADPH + H+
-
Mycobacterium tuberculosis UDP-N-acetylmuramate + NADP+
-
?
UDP-N-acetylenolpyruvylglucosamine + NADPH + H+
-
Mycobacterium tuberculosis H37Rv UDP-N-acetylmuramate + NADP+
-
?

Synonyms

Synonyms Comment Organism
EC 1.1.1.158 formerly Mycobacterium tuberculosis
MurB
-
Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
FAD
-
Mycobacterium tuberculosis
NADPH
-
Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0052
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4-[2-(benzylsulfanyl)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
0.0054
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazolidine-3,5-dione
0.0056
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(4-phenylbutyl)pyrazolidine-3,5-dione
0.0058
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4,4-bis[2-(2,4-difluorophenyl)-2-oxoethyl]pyrazolidine-3,5-dione
0.0072
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4,4-bis(6-phenylhexyl)pyrazolidine-3,5-dione
0.0072
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4,4-bis[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
0.0089
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(6-phenylhexyl)pyrazolidine-3,5-dione
0.01
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(4-oxo-4-phenylbutyl)pyrazolidine-3,5-dione
0.01
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(5-phenylpentyl)pyrazolidine-3,5-dione
0.01
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(3-phenylpropyl)pyrazolidine-3,5-dione
0.011
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(2,4-dichlorobenzyl)pyrazolidine-3,5-dione
0.011
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4'-[[1,2-bis(4-chlorophenyl)-3,5-dioxopyrazolidin-4-yl]methyl]biphenyl-2-carbonitrile
0.011
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4-[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
0.012
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4-[3,5-bis(trifluoromethyl)benzyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
0.013
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(3-oxo-3-phenylpropyl)pyrazolidine-3,5-dione
0.018
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-[3-(trifluoromethyl)benzyl]pyrazolidine-3,5-dione
0.02
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4-[2-(benzyloxy)ethyl]-1,2-bis(4-chlorophenyl)-4-methylpyrazolidine-3,5-dione
0.035
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(2-phenylethyl)pyrazolidine-3,5-dione
0.042
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-heptylpyrazolidine-3,5-dione
0.049
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methylpyrazolidine-3,5-dione
0.05
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(2-phenylethyl)pyrazolidine-3,5-dione
0.05
-
pH and temperature not specified in the publication Mycobacterium tuberculosis (4S)-1,2-bis(4-chlorophenyl)-5-[2-(2,4-difluorophenyl)-2-oxoethoxy]-4-methylpyrazolidin-3-one
0.05
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(3-methoxybenzyl)pyrazolidine-3,5-dione
0.05
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4-(2-chlorobenzyl)-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
0.05
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4-benzyl-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
0.05
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-(2-ethylbutyl)pyrazolidine-3,5-dione
0.05
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 4-[2-[benzyl(ethyl)amino]ethyl]-1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione
0.05
-
pH and temperature not specified in the publication Mycobacterium tuberculosis 1,2-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]pyrazolidine-3,5-dione