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Literature summary extracted from

  • Sanchez-Sixto, C.; Prazeres, V.F.; Castedo, L.; Lamb, H.; Hawkins, A.R.; Gonzalez-Bello, C.
    Structure-based design, synthesis, and biological evaluation of inhibitors of Mycobacterium tuberculosis type II dehydroquinase (2005), J. Med. Chem., 48, 4871-4881.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(3,5-difluoro)phenylcyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-carboxylic)phenylcyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-fluoro)phenylcyclo-hex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-hydroxy)phenylcyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-nitro)phenylcyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-trifluoromethyl)phenylcyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(4-fluoro)phenylcyclo-hex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(4-trifluoromethyl)phenylcyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(furan-3-yl)phenylcyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(pyridine-3-yl)cyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-(thiophen-3-yl)phenyl-cyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis
4.2.1.10 (1R,3R,4R)-1,3,4-trihydroxy-5-phenylcyclohex-5-en-1-carboxylic acid
-
 Mycobacterium tuberculosis

Organism

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

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
-
 ?

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
4.2.1.10 0.054
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-nitro)phenylcyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 0.59
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(thiophen-3-yl)phenyl-cyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 0.83
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(furan-3-yl)phenylcyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 1.5
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-phenylcyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 1.5
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-fluoro)phenylcyclo-hex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 1.8
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(4-fluoro)phenylcyclo-hex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 2.125
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-trifluoromethyl)phenylcyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 2.44
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(3,5-difluoro)phenylcyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 17
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(4-trifluoromethyl)phenylcyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 45
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(pyridine-3-yl)cyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 95
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-hydroxy)phenylcyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis
4.2.1.10 150
-
 (1R,3R,4R)-1,3,4-trihydroxy-5-(3-carboxylic)phenylcyclohex-5-en-1-carboxylic acid pH 8.2, 25°C Mycobacterium tuberculosis