Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50023903
Substrate
n/a
Meas. Tech.
ChEMBL_209474 (CHEMBL809254)
IC50
1260±n/a nM
Citation
 Brixner, DI; Ueda, T; Cheng, YC; Hynes, JB; Broom, AD Folate analogues as inhibitors of thymidylate synthase. J Med Chem 30:675-8 (1987) [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:
BDBM50023903
Synonyms:
2-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL348979
Type:
Small organic molecule
Emp. Form.:
C23H23N7O5
Mol. Mass.:
477.4726
SMILES:
Nc1nc(N)c2nc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2n1
Structure:
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