Reaction Details Report a problem with these data
Target
Flavin-dependent thymidylate synthase
Ligand
BDBM50351768
Substrate
n/a
Meas. Tech.
ChEMBL_764951 (CHEMBL1827108)
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:
Flavin-dependent thymidylate synthase
Synonyms:
THYX_MYCTU | TS | TSase | Thymidylate synthase thyX | thyX
Type:
PROTEIN
Mol. Mass.:
27593.46
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_764951
Residue:
250
Sequence:
MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA
  
Inhibitor
Name:
BDBM50351768
Synonyms:
CHEMBL1823495
Type:
Small organic molecule
Emp. Form.:
C16H17N2O9P
Mol. Mass.:
412.289
SMILES:
COc1cccc(c1)-c1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O |r|
Structure:
Search PDB for entries with ligand similarity: