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Target
Thymidylate synthase
Ligand
BDBM50011753
Substrate
n/a
Meas. Tech.
ChEBML_209808
IC50
110±n/a nM
Citation
 Thornton, TJ; Jones, TR; Jackman, AL; Flinn, A; O'Connor, BM; Warner, P; Calvert, AH Quinazoline antifolates inhibiting thymidylate synthase: 4-thio-substituted analogues. J Med Chem 34:978-84 (1991) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mus musculus
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50011753
Synonyms:
2-{4-[Prop-2-ynyl-(4-thioxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL177385
Type:
Small organic molecule
Emp. Form.:
C24H22N4O5S
Mol. Mass.:
478.52
SMILES:
OC(=O)CCC(NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=S)c2c1)C(O)=O
Structure:
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