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Target
Thymidylate kinase
Ligand
BDBM50164417
Substrate
n/a
Meas. Tech.
ChEMBL_302741 (CHEMBL838688)
Ki
240000±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:
BDBM50164417
Synonyms:
(E)-3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-acrylamide | 3-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)acrylamide | CHEMBL414848
Type:
Small organic molecule
Emp. Form.:
C15H15N3O3
Mol. Mass.:
285.2979
SMILES:
Cc1cn(Cc2ccc(C=CC(N)=O)cc2)c(=O)[nH]c1=O |w:9.8|
Structure:
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