Reaction Details Report a problem with these data
Target
Thymidylate kinase
Ligand
BDBM50131907
Substrate
n/a
Meas. Tech.
ChEMBL_208211 (CHEMBL873990)
Ki
315000±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 
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:
BDBM50131907
Synonyms:
Phosphoric acid mono-[3-aminomethyl-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
Type:
Small organic molecule
Emp. Form.:
C11H16N3O8P
Mol. Mass.:
349.2349
SMILES:
Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: