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Target
Thymidylate kinase
Ligand
BDBM50498068
Substrate
n/a
Meas. Tech.
ChEMBL_1461346 (CHEMBL3396196)
IC50
1.000000±n/a nM
Citation
 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M Structure guided lead generation for M. tuberculosis thymidylate kinase (Mtb TMK): discovery of 3-cyanopyridone and 1,6-naphthyridin-2-one as potent inhibitors. J Med Chem 58:753-66 (2015) [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:
BDBM50498068
Synonyms:
CHEMBL3394234
Type:
Small organic molecule
Emp. Form.:
C31H26N2O4
Mol. Mass.:
490.5491
SMILES:
CC(C)c1ccc(COc2cccc-3c2CCc2c-3[nH]c(=O)c(C#N)c2-c2ccc(cc2)C(O)=O)cc1
Structure:
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