Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary extracted from

  • Segura-Cabrera, A.; Rodriguez-Perez, M.A.
    Structure-based prediction of Mycobacterium tuberculosis shikimate kinase inhibitors by high-throughput virtual screening (2008), Bioorg. Med. Chem. Lett., 18, 3152-3157.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.71 1-(4-chloro-2,5-dimethoxyphenyl)-1H-tetrazole-5-thiol inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis
2.7.1.71 1-[(3-ethyl-2,6-dimethylquinolin-4-yl)sulfanyl]methanediamine inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis
2.7.1.71 2-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis
2.7.1.71 2-[(6-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis
2.7.1.71 3-phenyl-4-(5-sulfanyl-1H-tetrazol-1-yl)butanoic acid inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis
2.7.1.71 3-[(8-methoxy-2-methyl-3-propylquinolin-4-yl)sulfanyl]propanoic acid inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis
2.7.1.71 5-[[(4-fluorobenzyl)sulfanyl]methyl]-4-methyl-4H-1,2,4-triazole-3-thiol inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis
2.7.1.71 N-(3-chloro-4-methylphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis
2.7.1.71 [(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetic acid inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis
2.7.1.71 [[1,3-dimethyl-9-(2-methylprop-2-en-1-yl)-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl]acetic acid inhibitor identified by structure-based virtual screening, docking simulations Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.71 Mycobacterium tuberculosis P9WPY3
-
-
2.7.1.71 Mycobacterium tuberculosis H37Rv P9WPY3
-
-