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Target
Thymidylate kinase
Ligand
BDBM50574968
Substrate
n/a
Meas. Tech.
ChEMBL_2123719 (CHEMBL4832952)
IC50
1100±n/a nM
Citation
 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Structure-aided optimization of non-nucleoside M. tuberculosis thymidylate kinase inhibitors. Eur J Med Chem 225:0 (2021) [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 (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_208218
Residue:
214
Sequence:
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS
  
Inhibitor
Name:
BDBM50574968
Synonyms:
CHEMBL4871611
Type:
Small organic molecule
Emp. Form.:
C22H24N4O4
Mol. Mass.:
408.4504
SMILES:
Cc1cn(C2CCN(Cc3cccc(Oc4ccc(O)cc4)n3)CC2)c(=O)[nH]c1=O
Structure:
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