Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50042378
Substrate
n/a
Meas. Tech.
ChEMBL_209654 (CHEMBL811594)
Ki
2.5±n/a nM
Citation
 Pendergast, W; Dickerson, SH; Johnson, JV; Dev, IK; Ferone, R; Duch, DS; Smith, GK Benzoquinazoline inhibitors of thymidylate synthase: enzyme inhibitory activity and cytotoxicity of some sulfonamidobenzoylglutamate and related derivatives. J Med Chem 36:3464-71 (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:
BDBM50042378
Synonyms:
2-[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]quinazoline-9-sulfonylamino)-benzoylamino]-pentanedioic acid | CHEMBL325972
Type:
Small organic molecule
Emp. Form.:
C24H23N5O8S
Mol. Mass.:
541.533
SMILES:
Nc1nc2CCc3ccc(cc3-c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Structure:
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