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Target
Thymidylate synthase
Ligand
BDBM50006685
Substrate
n/a
Meas. Tech.
ChEBML_225607
IC50
80±n/a nM
Citation
 Thornton, TJ; Jackman, AL; Marsham, PR; O'Connor, BM; Bishop, JA; Calvert, AH Quinazoline antifolate thymidylate synthase inhibitors: difluoro-substituted benzene ring analogues. J Med Chem 35:2321-7 (1992) [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:
BDBM50006685
Synonyms:
2-{2,6-Difluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid; hydrate(H2O) | CHEMBL75291
Type:
Small organic molecule
Emp. Form.:
C25H22F2N4O6
Mol. Mass.:
512.4622
SMILES:
Cc1nc2ccc(CN(CC#C)c3cc(F)c(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1
Structure:
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