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Target
Thymidylate kinase
Ligand
BDBM50164406
Substrate
n/a
Meas. Tech.
ChEMBL_302741 (CHEMBL838688)
Ki
265000±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:
BDBM50164406
Synonyms:
3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-propionic acid ethyl ester | CHEMBL191010
Type:
Small organic molecule
Emp. Form.:
C17H20N2O4
Mol. Mass.:
316.3517
SMILES:
CCOC(=O)CCc1ccc(Cn2cc(C)c(=O)[nH]c2=O)cc1
Structure:
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