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Target
Thymidylate kinase
Ligand
BDBM50156570
Substrate
n/a
Meas. Tech.
ChEMBL_936739 (CHEMBL2319891)
Ki
3500±n/a nM
Citation
 Toti, KS; Verbeke, F; Risseeuw, MD; Frecer, V; Munier-Lehmann, H; Van Calenbergh, S Synthesis and evaluation of 5'-modified thymidines and 5-hydroxymethyl-2'-deoxyuridines as Mycobacterium tuberculosis thymidylate kinase inhibitors. Bioorg Med Chem 21:257-68 (2012) [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:
BDBM50156570
Synonyms:
1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-beta-D-ribofuranosyl)thymine | CHEMBL375569
Type:
Small organic molecule
Emp. Form.:
C12H15N3O5S
Mol. Mass.:
313.33
SMILES:
Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O |r|
Structure:
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