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Target
Thymidylate kinase
Ligand
BDBM50359625
Substrate
n/a
Meas. Tech.
ChEMBL_936739 (CHEMBL2319891)
Ki
170±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:
BDBM50359625
Synonyms:
CHEMBL1928435
Type:
Small organic molecule
Emp. Form.:
C18H18ClF3N4O3S2
Mol. Mass.:
494.939
SMILES:
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=S |r|
Structure:
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