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Target
Thymidylate synthase ThyA
Ligand
BDBM50351759
Substrate
n/a
Meas. Tech.
ChEMBL_764952 (CHEMBL1827109)
IC50
>50000±n/a nM
Citation
 Kögler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Synthesis and evaluation of 5-substituted 2'-deoxyuridine monophosphate analogues as inhibitors of flavin-dependent thymidylate synthase in Mycobacterium tuberculosis. J Med Chem 54:4847-62 (2011) [PubMed]  Article 
Target
Name:
Thymidylate synthase ThyA
Synonyms:
TS | TSase | TYSY_MYCTU | Thymidylate synthase | thyA
Type:
PROTEIN
Mol. Mass.:
29848.00
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_764952
Residue:
263
Sequence:
MTPYEDLLRFVLETGTPKSDRTGTGTRSLFGQQMRYDLSAGFPLLTTKKVHFKSVAYELLWFLRGDSNIGWLHEHGVTIWDEWASDTGELGPIYGVQWRSWPAPSGEHIDQISAALDLLRTDPDSRRIIVSAWNVGEIERMALPPCHAFFQFYVADGRLSCQLYQRSADLFLGVPFNIASYALLTHMMAAQAGLSVGEFIWTGGDCHIYDNHVEQVRLQLSREPRPYPKLLLADRDSIFEYTYEDIVVKNYDPHPAIKAPVAV
  
Inhibitor
Name:
BDBM50351759
Synonyms:
CHEMBL1823493
Type:
Small organic molecule
Emp. Form.:
C12H12N3O8P
Mol. Mass.:
357.2138
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(C=CC#N)c(=O)[nH]c1=O |r,w:15.15|
Structure:
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