Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate synthase
LigandBDBM50251174
Substrate/Competitorn/a
Meas. Tech.ChEMBL_530825 (CHEMBL969380)
Ki 200±n/a nM
Citation Corona, PLoriga, MCosti, MPFerrari, SPaglietti, G Synthesis of N-(5,7-diamino-3-phenyl-quinoxalin-2-yl)-3,4,5-substituted anilines and N-[4[(5,7-diamino-3-phenylquinoxalin-2-yl)amino]benzoyl]-l-glutamic acid diethyl ester: evaluation of in vitro anti-cancer and anti-folate activities. Eur J Med Chem43:189-203 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thymidylate synthase
Name:Thymidylate synthase
Synonyms:TS | TSase | Thymidylate Synthase (TS) | Thymidylate synthase | thyA
Type:n/a
Mol. Mass.:30487.86
Organism:Escherichia coli
Description:n/a
Residue:264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50251174
n/a
NameBDBM50251174
Synonyms:2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-dinitro-quinoxaline | CHEMBL458184
TypeSmall organic molecule
Emp. Form.C20H11Cl2N5O4
Mol. Mass.456.238
SMILES[O-][N+](=O)c1cc([N+]([O-])=O)c2nc(c(Nc3ccc(Cl)c(Cl)c3)nc2c1)-c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: