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TargetThymidylate kinase
LigandBDBM50132290
Substrate/Competitorn/a
Meas. Tech.ChEBML_208218
Ki 140000±n/a nM
Citation Vanheusden VVan Rompaey PMunier-Lehmann HPochet SHerdewijn PVan Calenbergh S Thymidine and thymidine-5'-O-monophosphate analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase. Bioorg Med Chem Lett 13:3045-8 (2003) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Thymidylate kinase
Name:Thymidylate kinase
Synonyms:TMPK | Thymidine monophosphate kinase | dTMP kinase
Type:PROTEIN
Mol. Mass.:22636.29
Organism:Mycobacterium tuberculosis
Description:ChEMBL_208218
Residue:214
Sequence:
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLA
SSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWV
QRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYA
ELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS
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  Blast E-value cutoff:
BDBM50132290
n/a
NameBDBM50132290
Synonyms:CHEMBL320200 | N-[(2S,5R)-4-Hydroxy-2-hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl]-guanidine
TypeSmall organic molecule
Emp. Form.C11H17N5O5
Mol. Mass.299.2832
SMILESCc1cn([C@@H]2O[C@H](CO)[C@@H](N=C(N)N)[C@H]2O)c(=O)[nH]c1=O |wU:4.3,6.6,wD:9.9,14.15,(12.72,-.05,;12.72,-1.59,;11.39,-2.36,;11.39,-3.9,;10.06,-4.67,;8.66,-4.04,;7.64,-5.19,;6.1,-5.04,;5.47,-3.62,;8.41,-6.53,;7.8,-7.94,;6.26,-8.1,;5.35,-6.87,;5.63,-9.52,;9.92,-6.21,;11.07,-7.23,;12.72,-4.67,;12.72,-6.21,;14.05,-3.9,;14.05,-2.36,;15.41,-1.59,)|
Structure
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