Target
Thymidylate synthase
Ligand
BDBM50046646
Substrate
n/a
Meas. Tech.
ChEMBL_219323 (CHEMBL823516)
Ki
11±n/a nM
Citation
 Webber, SEBleckman, TMAttard, JDeal, JGKathardekar, VWelsh, KMWebber, SJanson, CAMatthews, DASmith, 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:
BDBM50046646
Synonyms:
2-Amino-6-methyl-5-(pyridazin-4-ylsulfanyl)-3H-quinazolin-4-one | CHEMBL349723
Type:
Small organic molecule
Emp. Form.:
C13H11N5OS
Mol. Mass.:
285.324
SMILES:
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnnc1
Structure:
Search PDB for entries with ligand similarity: