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Target
Thymidylate synthase
Ligand
BDBM50033920
Substrate
n/a
Meas. Tech.
ChEMBL_209794 (CHEMBL815660)
IC50
6±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:
BDBM50033920
Synonyms:
(R)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-3-methyl-butyric acid | CHEMBL6715
Type:
Small organic molecule
Emp. Form.:
C26H27FN4O4
Mol. Mass.:
478.5154
SMILES:
CC(C)[C@@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O)C(O)=O
Structure:
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