Reaction Details Report a problem with these data
Target
Thymidine kinase, cytosolic
Ligand
BDBM50131912
Substrate
n/a
Meas. Tech.
ChEMBL_208213 (CHEMBL815478)
Ki
40000±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:
Thymidine kinase, cytosolic
Synonyms:
KITH_HUMAN | TK1
Type:
PROTEIN
Mol. Mass.:
25476.50
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1333884
Residue:
234
Sequence:
MSCINLPTVLPGSPSKTRGQIQVILGPMFSGKSTELMRRVRRFQIAQYKCLVIKYAKDTRYSSSFCTHDRNTMEALPACLLRDVAQEALGVAVIGIDEGQFFPDIVEFCEAMANAGKTVIVAALDGTFQRKPFGAILNLVPLAESVVKLTAVCMECFREAAYTKRLGTEKEVEVIGGADKYHSVCRLCYFKKASGQPAGPDNKENCPVPGKPGEAVAARKLFAPQQILQCSPAN
Inhibitor
Name:
BDBM50131912
Synonyms:
Phosphoric acid mono-[3-fluoromethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
Type:
Small organic molecule
Emp. Form.:
C11H14FN2O7P
Mol. Mass.:
336.2113
SMILES:
Cc1cn([C@H]2C[C@H](CF)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O