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Literature summary extracted from

  • Jean Kumar, V.U.; Poyraz, O.; Saxena, S.; Schnell, R.; Yogeeswari, P.; Schneider, G.; Sriram, D.
    Discovery of novel inhibitors targeting the Mycobacterium tuberculosis O-acetylserine sulfhydrylase (CysK1) using virtual high-throughput screening (2013), Bioorg. Med. Chem. Lett., 23, 1182-1186.
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.5.1.47 identification of inhibitors by docking into crystal structure, PDB entry 2Q3C Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.5.1.47 4-(2-methylphenyl)-8-nitro-2-thioxo-2,3,4,4a-tetrahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one minimum inhibitory concentration against Mycobacterium tuberculosis 0.0335 mM, cytotoxicity against HEK 293T cell 3.6% at 0.025 mM Mycobacterium tuberculosis
2.5.1.47 4-(4-methoxyphenyl)-8-nitro-2-thioxo-2,3,4,4a-tetrahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one minimum inhibitory concentration against Mycobacterium tuberculosis 0.0321 mM, cytotoxicity against HEK 293T cell 0.2% at 0.025 mM Mycobacterium tuberculosis
2.5.1.47 8-nitro-4-(2-nitrophenyl)-2-thioxo-2,3,4,4a-tetrahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one minimum inhibitory concentration against Mycobacterium tuberculosis 0.0309 mM, cytotoxicity against HEK 293T cell 1% at 0.025 mM Mycobacterium tuberculosis
2.5.1.47 8-nitro-4-[2-(trifluoromethyl)phenyl]-4,4a-dihydro-2H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(3H)-dione minimum inhibitory concentration against Mycobacterium tuberculosis 0.0076 mM, cytotoxicity against HEK 293T cell 5.7% at 0.025 mM Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
2.5.1.47 Mycobacterium tuberculosis P9WP55
-
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2.5.1.47 Mycobacterium tuberculosis H37Rv P9WP55
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-

Synonyms

EC Number Synonyms Comment Organism
2.5.1.47 CysK1
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.5.1.47 0.0177
-
 pH not specified in the publication, temperature not specified in the publication Mycobacterium tuberculosis 4-(2-methylphenyl)-8-nitro-2-thioxo-2,3,4,4a-tetrahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one
2.5.1.47 0.0177
-
 pH not specified in the publication, temperature not specified in the publication Mycobacterium tuberculosis 8-nitro-4-[2-(trifluoromethyl)phenyl]-4,4a-dihydro-2H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(3H)-dione
2.5.1.47 0.0227
-
 pH not specified in the publication, temperature not specified in the publication Mycobacterium tuberculosis 4-(4-methoxyphenyl)-8-nitro-2-thioxo-2,3,4,4a-tetrahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one
2.5.1.47 0.0303
-
 pH not specified in the publication, temperature not specified in the publication Mycobacterium tuberculosis 8-nitro-4-(2-nitrophenyl)-2-thioxo-2,3,4,4a-tetrahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one