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Target
Thymidylate kinase
Ligand
BDBM50223787
Substrate
n/a
Meas. Tech.
ChEMBL_807092 (CHEMBL1959670)
Ki
1000±n/a nM
Citation
 Choi, JY; Plummer, MS; Starr, J; Desbonnet, CR; Soutter, H; Chang, J; Miller, JR; Dillman, K; Miller, AA; Roush, WR Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation. J Med Chem 55:852-70 (2012) [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
Description:
ChEMBL_208218
Residue:
214
Sequence:
MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS
  
Inhibitor
Name:
BDBM50223787
Synonyms:
CHEMBL235088 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3,4-dichlorophenyl)thiourea
Type:
Small organic molecule
Emp. Form.:
C17H18Cl2N4O4S
Mol. Mass.:
445.32
SMILES:
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(Cl)c3)O2)c(=O)[nH]c1=O
Structure:
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