Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50046655
Substrate
n/a
Meas. Tech.
ChEMBL_219323 (CHEMBL823516)
Ki
58±n/a nM
Citation
 Webber, SE; Bleckman, TM; Attard, J; Deal, JG; Kathardekar, V; Welsh, KM; Webber, S; Janson, CA; Matthews, DA; Smith, WW Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones. J Med Chem 36:733-46 (1993) [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:
BDBM50046655
Synonyms:
5-(2-Dimethylamino-pyridin-4-ylsulfanyl)-2,6-dimethyl-3H-quinazolin-4-one | CHEMBL349969
Type:
Small organic molecule
Emp. Form.:
C17H18N4OS
Mol. Mass.:
326.416
SMILES:
CN(C)c1cc(Sc2c(C)ccc3nc(C)[nH]c(=O)c23)ccn1
Structure:
Search PDB for entries with ligand similarity: