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2.3.1.122: trehalose O-mycolyltransferase

This is an abbreviated version!
For detailed information about trehalose O-mycolyltransferase, go to the full flat file.

Word Map on EC 2.3.1.122

Reaction

2 alpha,alpha-trehalose 6-mycolate =

alpha,alpha-trehalose
+
alpha,alpha-trehalose 6,6'-bismycolate

Synonyms

Ag85A, ag85C, alpha,alpha'-trehalose 6-monomycolate:alpha,alpha'-trehalose mycolyltransferase, antigen 85A, antigen 85C, cg0413, CMT1, corynomycoloyl transferase C, FbpA mycolyltransferase, mycoloyl transferase, mycolyl-transferase Ag85A, mycolyltransferase, mycolyltransferase, trehalose 6-monomycolate-trehalose, MytC

ECTree

     2 Transferases
         2.3 Acyltransferases
             2.3.1 Transferring groups other than aminoacyl groups
                2.3.1.122 trehalose O-mycolyltransferase

Inhibitors

Inhibitors on EC 2.3.1.122 - trehalose O-mycolyltransferase

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INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl ethyl butylphosphonate
-
IC50: 0.010 mM
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl ethyl tetradecylphosphonate
-
IC50: 0.0410 mM
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl ethyl heptylphosphonate
-
IC50: 0.0013 mM
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl ethyl nonylphosphonate
-
IC50: 0.0871 mM
(2S)-N-hydroxy-1-[4-(1,1'-biphenyl)-3,6-dihydropyridine-1(2H)-sulfonyl]piperidine-2-carboxamide
compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic
1-(3-phenoxy)benzyl 1-octanesulfonate
IC50: 0.0043 mM
1-[(2S)-2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-pyrimidin-2-yloxyethanone
compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethyl ethyl butylphosphonate
-
IC50: 0.0507 mM
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethyl ethyl nonylphosphonate
-
IC50: 0.0257 mM
2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
i.e. I3-AG85, enzyme inhibition leads to accumulation of trehalose monomycolate and disruption of the bacterial envelope, I3-AG85 also inhibits Mycobacterium tuberculosis survival in infected primary macrophages. Binding of I3-AG85 to Ag85C is similar to its binding to the artificial substrate octylthioglucoside, overview
2-phenylethanol
-
-
2-[[[(3R*,4R*)-4-(hydroxymethyl)-1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]methyl](methyl)amino]ethanol
compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic
3,4,5-trimethoxybenzylphosphonate
-
IC50: 0.102 mM
3-Phenoxybenzyl alcohol
trehalose mimetic inhibitor
4-(phthalimido)butanol
-
-
6-azido-6-deoxytrehalose
-
inhibits all three members of Ag85 complex in vitro
ACP
-
0.00056 mg/0.6 ml, 68% reduction of activity
ethyl 3-phenoxybenzyl butylphosphonate
ethyl 3-phenoxybenzyl heptylphosphonate
-
IC50: 0.021 mM
ethyl 3-phenoxybenzyl hexylphosphonate
-
IC50: 0.0426 mM
ethyl 3-phenoxybenzyl nonylphosphonate
-
IC50: 0.0148 mM
ethyl 3-phenoxybenzyl tetradecylphosphonate
-
IC50: 0.862 mM
ethyl hydrogen 2-phenylethyl phosphonate
-
IC50: 0.225 mM
ethyl hydrogen 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butylphosphonate
-
IC50: 0.110 mM
ethyl hydrogen butylphosphonate
-
IC50: 0.431 mM
ethyl hydrogen heptylphosphonate
-
IC50: 0.0011 mM
ethyl hydrogen hexylphosphonate
-
IC50: 0.0036 mM
ethyl hydrogen nonylphosphonate
-
IC50: 0.471 mM
iodoacetamide
-
16.7 mM, 53% decrease of activity
MgCl2
-
16 mM, 91% inhibition
N-(hydroxyethyl)phthalimide
trehalose mimetic inhibitor
N-(omega-hydroxyalky)phthalimide
-
-
tetrahydrolipstatin
covalent inhibition. The enzyme undergoes structural changes upon acylation, and positioning of the peptidyl arm of tetrahydrolipstain limits hydrolysis of the acyl-enzyme adduct
Tween 80
-
strong, might disrupt necessary structure of the TM vesicle/micelle
[(1R,2S,4S,5S,7R,9S,10S)-12-(hydroxymethyl)-4,5,15-trimethoxy-4,5-dimethyl-3,6,17-trioxatetracyclo[8.7.0.02,7.011,16]heptadeca-11,13,15-trien-9-yl]methanol
compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic
additional information
-