Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50448344
Substrate
n/a
Meas. Tech.
ChEMBL_1294108 (CHEMBL3122686)
Ki
270±n/a nM
Citation
 Piras, S; Carta, A; Briguglio, I; Corona, P; Paglietti, G; Luciani, R; Costi, MP; Ferrari, S 2-[N-Alkyl(R-phenyl)-aminomethyl]-3-phenyl-7-trifluoromethylquinoxalines as anticancer agents inhibitors of folate enzymes. Eur J Med Chem 75:169-83 (2014) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase
Type:
Enzyme
Mol. Mass.:
35718.07
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
313
Sequence:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50448344
Synonyms:
CHEMBL3121462
Type:
Small organic molecule
Emp. Form.:
C23H16F5N3
Mol. Mass.:
429.3853
SMILES:
CN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1ccc(F)c(F)c1
Structure:
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