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Target
Thymidylate synthase
Ligand
BDBM50046645
Substrate
n/a
Meas. Tech.
ChEMBL_219324 (CHEMBL823517)
Ki
76±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:
BDBM50046645
Synonyms:
5-(4-Benzenesulfonyl-phenylsulfanyl)-2,6-dimethyl-3H-quinazolin-4-one | CHEMBL423282
Type:
Small organic molecule
Emp. Form.:
C22H18N2O3S2
Mol. Mass.:
422.52
SMILES:
Cc1nc2ccc(C)c(Sc3ccc(cc3)S(=O)(=O)c3ccccc3)c2c(=O)[nH]1
Structure:
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