Literature summary for 2.7.4.9 extracted from

Naik, M.; Raichurkar, A.; Bandodkar, B.S.; Varun, B.V.; Bhat, S.; Kalkhambkar, R.; Murugan, K.; Menon, R.; Bhat, J.; Paul, B.; Iyer, H.; Hussein, S.; Tucker, J.A.; Vogtherr, M.; Embrey, K.J.; McMiken, H.; Prasad, S.; Gill, A.; Ugarkar, B.G.; Venkatraman, J.; Read, J.; Panda, M.
Structure guided lead generation for M. tuberculosis thymidylate kinase (Mtb TMK): discovery of 3-cyanopyridone and 1,6-naphthyridin-2-one as potent inhibitors (2015), J. Med. Chem., 58, 753-766.

Crystallization (Commentary)

Crystallization (Comment)	Organism
in comlplex with inhibitors 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid	Mycobacterium tuberculosis

Inhibitors	Comment	Organism	Structure
4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid	compound shows showed cellular activity against Mycobacterium tuberculosis	Mycobacterium tuberculosis
4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid	compound shows showed cellular activity against Mycobacterium tuberculosis, MIC value above 32 microg/ml	Mycobacterium tuberculosis

Organism	UniProt	Comment	Textmining
Mycobacterium tuberculosis	P9WKE1	-	-
Mycobacterium tuberculosis H37Rv	P9WKE1	-	-

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000002	-	pH 7.5, 37°C	Mycobacterium tuberculosis	4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid
0.00042	-	pH 7.5, 37°C	Mycobacterium tuberculosis	4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid

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Release 2023.1 (January 2023)