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Target
Thymidylate kinase
Ligand
BDBM50164409
Substrate
n/a
Meas. Tech.
ChEMBL_302741 (CHEMBL838688)
Ki
67000±n/a nM
Citation
 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S LEA3D: a computer-aided ligand design for structure-based drug design. J Med Chem 48:2457-68 (2005) [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:
BDBM50164409
Synonyms:
1-(3,4-Difluoro-benzyl)-5-methyl-1H-pyrimidine-2,4-dione | CHEMBL365098
Type:
Small organic molecule
Emp. Form.:
C12H10F2N2O2
Mol. Mass.:
252.2168
SMILES:
Cc1cn(Cc2ccc(F)c(F)c2)c(=O)[nH]c1=O
Structure:
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