Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50441912
Substrate
n/a
Meas. Tech.
ChEMBL_987636 (CHEMBL2439369)
Ki
11340±n/a nM
Citation
 Ali, AR; El-Bendary, ER; Ghaly, MA; Shehata, IA Novel acetamidothiazole derivatives: synthesis and in vitro anticancer evaluation. Eur J Med Chem 69:908-19 (2013) [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:
BDBM50441912
Synonyms:
CHEMBL2437295
Type:
Small organic molecule
Emp. Form.:
C17H19ClN4O2S
Mol. Mass.:
378.876
SMILES:
CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
Structure:
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