BRENDA - Enzyme Database show
show all sequences of 1.1.1.133

Novel inhibitors of Mycobacterium tuberculosis dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) identified by virtual screening

Wang, Y.; Hess, T.N.; Jones, V.; Zhou, J.Z.; McNeil, M.R.; Andrew McCammon, J.; Bioorg. Med. Chem. Lett. 21, 7064-7067 (2011)

Data extracted from this reference:

Inhibitors
Inhibitors
Commentary
Organism
Structure
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one
-
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-methyl-3H-xanthen-3-one
-
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one
-
Mycobacterium tuberculosis
5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol
-
Mycobacterium tuberculosis
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Mycobacterium tuberculosis
-
-
-
IC50 Value
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
0.0009
-
pH and temperature not specified in the publication
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one
0.0015
-
pH and temperature not specified in the publication
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-methyl-3H-xanthen-3-one
0.0021
-
pH and temperature not specified in the publication
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one
0.0025
-
pH and temperature not specified in the publication
Mycobacterium tuberculosis
5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol
IC50 Value (protein specific)
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
0.0009
-
pH and temperature not specified in the publication
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one
0.0015
-
pH and temperature not specified in the publication
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-methyl-3H-xanthen-3-one
0.0021
-
pH and temperature not specified in the publication
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one
0.0025
-
pH and temperature not specified in the publication
Mycobacterium tuberculosis
5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol
Inhibitors (protein specific)
Inhibitors
Commentary
Organism
Structure
2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-one
-
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-methyl-3H-xanthen-3-one
-
Mycobacterium tuberculosis
2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one
-
Mycobacterium tuberculosis
5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol
-
Mycobacterium tuberculosis
Other publictions for EC 1.1.1.133
No.
1st author
Pub Med
title
organims
journal
volume
pages
year
Activating Compound
Application
Cloned(Commentary)
Crystallization (Commentary)
Engineering
General Stability
Inhibitors
KM Value [mM]
Localization
Metals/Ions
Molecular Weight [Da]
Natural Substrates/ Products (Substrates)
Organic Solvent Stability
Organism
Oxidation Stability
Posttranslational Modification
Purification (Commentary)
Reaction
Renatured (Commentary)
Source Tissue
Specific Activity [micromol/min/mg]
Storage Stability
Substrates and Products (Substrate)
Subunits
Temperature Optimum [C]
Temperature Range [C]
Temperature Stability [C]
Turnover Number [1/s]
pH Optimum
pH Range
pH Stability
Cofactor
Ki Value [mM]
pI Value
IC50 Value
Activating Compound (protein specific)
Application (protein specific)
Cloned(Commentary) (protein specific)
Cofactor (protein specific)
Crystallization (Commentary) (protein specific)
Engineering (protein specific)
General Stability (protein specific)
IC50 Value (protein specific)
Inhibitors (protein specific)
Ki Value [mM] (protein specific)
KM Value [mM] (protein specific)
Localization (protein specific)
Metals/Ions (protein specific)
Molecular Weight [Da] (protein specific)
Natural Substrates/ Products (Substrates) (protein specific)
Organic Solvent Stability (protein specific)
Oxidation Stability (protein specific)
Posttranslational Modification (protein specific)
Purification (Commentary) (protein specific)
Renatured (Commentary) (protein specific)
Source Tissue (protein specific)
Specific Activity [micromol/min/mg] (protein specific)
Storage Stability (protein specific)
Substrates and Products (Substrate) (protein specific)
Subunits (protein specific)
Temperature Optimum [C] (protein specific)
Temperature Range [C] (protein specific)
Temperature Stability [C] (protein specific)
Turnover Number [1/s] (protein specific)
pH Optimum (protein specific)
pH Range (protein specific)
pH Stability (protein specific)
pI Value (protein specific)
Expression
General Information
General Information (protein specific)
Expression (protein specific)
KCat/KM [mM/s]
KCat/KM [mM/s] (protein specific)
724529
Wang
Novel inhibitors of Mycobacter ...
Mycobacterium tuberculosis
Bioorg. Med. Chem. Lett.
21
7064-7067
2011
-
-
-
-
-
-
4
-
-
-
-
-
-
3
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
4
-
-
-
-
-
-
-
4
4
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
716065
Parakkottil Chothi
Identification of an L-rhamnos ...
Acanthamoeba polyphaga Mimivirus
J. Virol.
84
8829-8838
2010
-
-
1
-
-
-
-
1
-
1
2
-
-
1
-
-
-
-
-
-
1
-
1
1
-
-
1
-
1
-
-
1
-
-
-
-
-
1
1
-
-
-
-
-
-
1
-
1
2
-
-
-
-
-
-
-
1
-
1
1
-
-
1
-
1
-
-
-
-
-
-
-
-
-
661486
Elling
An enzyme module system for th ...
Salmonella enterica
ChemBioChem
6
1423-1430
2005
-
1
1
-
-
-
-
-
-
-
-
1
-
1
-
-
-
-
-
-
-
-
2
-
1
-
-
-
1
-
-
1
-
-
-
-
1
1
1
-
-
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
2
-
1
-
-
-
1
-
-
-
-
-
-
-
-
-
668041
Kang
Preparative synthesis of dTDP- ...
Mesorhizobium loti
Biotechnol. Bioeng.
93
21-27
2005
-
1
1
-
-
-
-
-
-
-
-
1
-
3
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
1
-
-
-
-
1
1
1
-
-
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
657064
Watt
A bifunctional 3,5-epimerase/4 ...
Arabidopsis thaliana
Plant Physiol.
134
1337-1346
2004
-
-
1
-
-
-
1
2
-
-
2
-
-
1
-
-
1
-
-
4
-
1
4
1
1
1
-
-
-
1
-
2
-
-
-
-
-
1
2
-
-
-
-
1
-
2
-
-
2
-
-
-
-
1
-
4
-
1
4
1
1
1
-
-
-
1
-
-
-
-
-
-
-
-
657358
Blankenfeldt
Variation on a theme of SDR: d ...
Salmonella enterica
Structure
10
773-786
2002
-
-
-
1
-
-
-
-
-
1
-
-
-
2
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
285845
Nakano
Thymidine diphosphate-6-deoxy- ...
Aggregatibacter actinomycetemcomitans, Escherichia coli, Escherichia coli O45
J. Biol. Chem.
275
6806-6812
2000
-
-
1
-
-
-
-
-
-
-
2
-
-
6
-
-
1
-
-
-
-
1
2
-
-
-
-
-
-
-
-
2
-
-
-
-
-
1
2
-
-
-
-
-
-
-
-
-
2
-
-
-
-
1
-
-
-
1
2
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
285844
Giraud
-
Overexpression, purification, ...
Escherichia coli, Escherichia coli K12, Salmonella enterica, Shigella flexneri, Streptomyces mutans, Xanthomonas campestris
Acta Crystallogr. Sect. D
55
2043-2046
1999
-
-
1
1
-
-
-
-
-
-
5
6
-
166
-
-
1
-
-
-
-
-
6
-
-
-
-
-
-
-
-
5
-
-
-
-
-
1
5
1
-
-
-
-
-
-
-
-
5
6
-
-
-
1
-
-
-
-
6
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
285846
Graninger
Characterization of dTDP-4-deh ...
Salmonella enterica
J. Biol. Chem.
274
25069-25077
1999
-
-
1
-
-
-
2
2
-
-
3
-
-
2
-
-
1
-
-
-
1
1
2
-
-
-
2
2
2
-
1
4
-
-
-
-
-
1
4
-
-
-
-
2
-
2
-
-
3
-
-
-
-
1
-
-
1
1
2
-
-
-
2
2
2
-
1
-
-
-
-
-
-
-
285843
Melo
The mechanism of 6-deoxyhexose ...
Pseudomonas aeruginosa
J. Biol. Chem.
243
1475-1478
1968
-
-
-
-
-
1
-
-
-
-
-
-
-
1
-
-
1
-
-
-
-
-
1
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
1
-
-
-
-
1
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-