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Target
Thymidylate kinase
Ligand
BDBM50223813
Substrate
n/a
Meas. Tech.
ChEMBL_450257 (CHEMBL900534)
Ki
2300±n/a nM
Citation
 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S Rational design of 5'-thiourea-substituted alpha-thymidine analogues as thymidine monophosphate kinase inhibitors capable of inhibiting mycobacterial growth. J Med Chem 50:5281-92 (2007) [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:
BDBM50223813
Synonyms:
CHEMBL236973 | N-(3-trifluoromethyl-4-chlorophenyl)-N'-(3',5'-dideoxy-alpha-D-thymidin-5'-yl)thiourea
Type:
Small organic molecule
Emp. Form.:
C18H18ClF3N4O3S
Mol. Mass.:
462.874
SMILES:
Cc1cn([C@@H]2CC[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O
Structure:
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