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Target
Thymidylate synthase
Ligand
BDBM50011751
Substrate
n/a
Meas. Tech.
ChEBML_209808
IC50
19±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:
BDBM50011751
Synonyms:
2-{4-[(2-Amino-4-thioxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL177931
Type:
Small organic molecule
Emp. Form.:
C24H23N5O5S
Mol. Mass.:
493.535
SMILES:
Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=S)[nH]1
Structure:
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