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Target
Thymidylate kinase
Ligand
BDBM50164407
Substrate
n/a
Meas. Tech.
ChEMBL_302741 (CHEMBL838688)
Ki
110000±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:
BDBM50164407
Synonyms:
3-(4-(thymin-1-ylmethyl)phenyl)propionamide | 3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-propionamide | CHEMBL364887
Type:
Small organic molecule
Emp. Form.:
C15H17N3O3
Mol. Mass.:
287.3138
SMILES:
Cc1cn(Cc2ccc(CCC(N)=O)cc2)c(=O)[nH]c1=O
Structure:
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