Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50432391
Substrate
n/a
Meas. Tech.
ChEMBL_952806 (CHEMBL2351311)
IC50
620±n/a nM
Citation
 Du, QR; Li, DD; Pi, YZ; Li, JR; Sun, J; Fang, F; Zhong, WQ; Gong, HB; Zhu, HL Novel 1,3,4-oxadiazole thioether derivatives targeting thymidylate synthase as dual anticancer/antimicrobial agents. Bioorg Med Chem 21:2286-97 (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:
BDBM50432391
Synonyms:
CHEMBL2348578
Type:
Small organic molecule
Emp. Form.:
C14H12N6O5S
Mol. Mass.:
376.347
SMILES:
Cc1ncc(n1CCSc1nnc(o1)-c1ccccc1[N+]([O-])=O)[N+]([O-])=O
Structure:
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