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Target
Thymidylate kinase
Ligand
BDBM50118625
Substrate
n/a
Meas. Tech.
ChEMBL_429556 (CHEMBL919554)
Ki
19000±n/a nM
Citation
 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Discovery of bicyclic thymidine analogues as selective and high-affinity inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase. J Med Chem 47:6187-94 (2004) [PubMed]  Article 
Target
Name:
Thymidylate kinase
Synonyms:
KTHY_MYCTU | TMPK | Thymidine monophosphate kinase | dTMP kinase | tmk
Type:
PROTEIN
Mol. Mass.:
22636.29
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_208218
Residue:
214
Sequence:
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS
  
Inhibitor
Name:
BDBM50118625
Synonyms:
(R)-1-((R)-3-Chloro-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione | Phosphoric acid mono-[4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester | [(2R,3R,4R,5R)-4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphate
Type:
Small organic molecule
Emp. Form.:
C10H12ClN2O8P
Mol. Mass.:
354.639
SMILES:
Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2Cl)c(=O)[nH]c1=O
Structure:
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