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Target
Thymidylate synthase
Ligand
BDBM50033926
Substrate
n/a
Meas. Tech.
ChEMBL_209795 (CHEMBL815661)
IC50
860.0±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:
BDBM50033926
Synonyms:
4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-N-thiazol-5-ylmethyl-benzamide | CHEMBL6496
Type:
Small organic molecule
Emp. Form.:
C24H21N5O2S
Mol. Mass.:
443.521
SMILES:
Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NCc3cncs3)cc2c(=O)[nH]1
Structure:
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