Reaction Details Report a problem with these data
Target
Thymidylate kinase
Ligand
BDBM50118628
Substrate
n/a
Meas. Tech.
ChEMBL_208211 (CHEMBL873990)
Ki
10000±n/a nM
Citation
Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugué, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S 3'-C-branched-chain-substituted nucleosides and nucleotides as potent inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase. J Med Chem 46:3811-21 (2003) [PubMed] Article
More Info.:
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:
BDBM50118628
Synonyms:
(R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione | Phosphoric acid mono-[3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
Type:
Small organic molecule
Emp. Form.:
C10H12N5O7P
Mol. Mass.:
345.2064
SMILES:
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O