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Literature summary extracted from

  • Petersen, G.O.; Saxena, S.; Renuka, J.; Soni, V.; Yogeeswari, P.; Santos, D.S.; Bizarro, C.V.; Sriram, D.
    Structure-based virtual screening as a tool for the identification of novel inhibitors against Mycobacterium tuberculosis 3-dehydroquinate dehydratase (2015), J. Mol. Graph. Model., 60, 124-131 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
4.2.1.10 3-[(Z)-[(5Z)-3-ethyl-5-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid no cytotoxicity up to 100 microM Mycobacterium tuberculosis
4.2.1.10 3-[(Z)-[(5Z)-5-[[4-(benzyloxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid no cytotoxicity up to 100 microM Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
4.2.1.10 Mycobacterium tuberculosis P9WPX7
-
-
4.2.1.10 Mycobacterium tuberculosis H37Rv P9WPX7
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4.2.1.10 3-dehydroquinate
-
 Mycobacterium tuberculosis 3-dehydroshikimate + H2O
-
 ?
4.2.1.10 3-dehydroquinate
-
 Mycobacterium tuberculosis H37Rv 3-dehydroshikimate + H2O
-
 ?

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
4.2.1.10 0.0171
-
 pH 7.0, 25°C Mycobacterium tuberculosis 3-[(Z)-[(5Z)-3-ethyl-5-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
4.2.1.10 0.0315
-
 pH 7.0, 25°C Mycobacterium tuberculosis 3-[(Z)-[(5Z)-5-[[4-(benzyloxy)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid