Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50251163
Substrate
n/a
Meas. Tech.
ChEMBL_530825 (CHEMBL969380)
Ki
3000±n/a nM
Citation
 Corona, P; Loriga, M; Costi, MP; Ferrari, S; Paglietti, 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 Chem 43:189-203 (2008) [PubMed]  Article 
Target
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:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
  
Inhibitor
Name:
BDBM50251163
Synonyms:
2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline | CHEMBL465890
Type:
Small organic molecule
Emp. Form.:
C20H15Cl2N5
Mol. Mass.:
396.273
SMILES:
Nc1cc(N)c2nc(c(Nc3ccc(Cl)c(Cl)c3)nc2c1)-c1ccccc1
Structure:
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