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Target
Thymidylate synthase
Ligand
BDBM50081260
Substrate
n/a
Meas. Tech.
ChEMBL_209961 (CHEMBL820617)
IC50
1.62±n/a nM
Citation
 Marsham, PR; Wardleworth, JM; Boyle, FT; Hennequin, LF; Kimbell, R; Brown, M; Jackman, AL Design and synthesis of potent non-polyglutamatable quinazoline antifolate thymidylate synthase inhibitors. J Med Chem 42:3809-20 (1999) [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:
BDBM50081260
Synonyms:
(S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-5-(5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylsulfanyl)-pentanoic acid | CHEMBL127583
Type:
Small organic molecule
Emp. Form.:
C28H28FN7O5S
Mol. Mass.:
593.629
SMILES:
Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCCSc4n[nH]c(=O)[nH]4)C(O)=O)c(F)c3)cc2c(=O)[nH]1
Structure:
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