Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate kinase
LigandBDBM50156576
Substrate/Competitorn/a
Meas. Tech.ChEMBL_429556 (CHEMBL919554)
Ki 80000±n/a nM
Citation Vanheusden, VMunier-Lehmann, HFroeyen, MBusson, RRozenski, JHerdewijn, PVan Calenbergh, S Discovery of bicyclic thymidine analogues as selective and high-affinity inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase. J Med Chem47:6187-94 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thymidylate kinase
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:
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLA
SSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWV
QRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYA
ELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50156576
n/a
NameBDBM50156576
Synonyms:1-(3-azidomethyl-2,5-difluoro-2,3,5-trideoxy-beta-D-ribofuranosyl)thymine | CHEMBL222970
TypeSmall organic molecule
Emp. Form.C11H13F2N5O3
Mol. Mass.301.2494
SMILESCc1cn([C@@H]2O[C@H](CF)[C@@H](CN=[N+]=[N-])[C@H]2F)c(=O)[nH]c1=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: