Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50033917
Substrate
n/a
Meas. Tech.
ChEMBL_209794 (CHEMBL815660)
IC50
89±n/a nM
Citation
 Marsham, PR; Jackman, AL; Barker, AJ; Boyle, FT; Pegg, SJ; Wardleworth, JM; Kimbell, R; O'Connor, BM; Calvert, AH; Hughes, LR Quinazoline antifolate thymidylate synthase inhibitors: replacement of glutamic acid in the C2-methyl series. J Med Chem 38:994-1004 (1995) [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:
BDBM50033917
Synonyms:
(R)-(4-Fluoro-phenyl)-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-acetic acid | CHEMBL265669
Type:
Small organic molecule
Emp. Form.:
C28H23FN4O4
Mol. Mass.:
498.505
SMILES:
Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](C(O)=O)c3ccc(F)cc3)cc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: