Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50027655
Substrate
n/a
Meas. Tech.
ChEMBL_2260227 (CHEMBL5215238)
IC50
9.0±n/a nM
Citation
 Bansal, R; Malhotra, A Therapeutic progression of quinazolines as targeted chemotherapeutic agents. Eur J Med Chem 211:0 (2021) [PubMed] 
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:
BDBM50027655
Synonyms:
CHEBI:5847 | Raltitrexed | Tomudex | US9422297, Raltitrexed | ZD-16 | ZD-1694
Type:
Small organic molecule
Emp. Form.:
C21H22N4O6S
Mol. Mass.:
458.488
SMILES:
CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
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