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Target
Thymidylate kinase
Ligand
BDBM50164415
Substrate
n/a
Meas. Tech.
ChEMBL_302741 (CHEMBL838688)
Ki
810000±n/a nM
Citation
 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S LEA3D: a computer-aided ligand design for structure-based drug design. J Med Chem 48:2457-68 (2005) [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:
BDBM50164415
Synonyms:
1-(3-Chloro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile | CHEMBL373302
Type:
Small organic molecule
Emp. Form.:
C12H8ClN3O2
Mol. Mass.:
261.664
SMILES:
Clc1cccc(Cn2cc(C#N)c(=O)[nH]c2=O)c1
Structure:
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