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Target
Thymidylate synthase
Ligand
BDBM50012512
Substrate
n/a
Meas. Tech.
ChEBML_209810
IC50
14120±n/a nM
Citation
 Marsham, PR; Jackman, AL; Hayter, AJ; Daw, MR; Snowden, JL; O'Connor, BM; Bishop, JA; Calvert, AH; Hughes, LR Quinazoline antifolate thymidylate synthase inhibitors: bridge modifications and conformationally restricted analogues in the C2-methyl series. J Med Chem 34:2209-18 (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:
BDBM50012512
Synonyms:
2-[(5-{[Allyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-yl)-amino]-methyl}-thiophene-2-carbonyl)-amino]-pentanedioic acid | CHEMBL71177
Type:
Small organic molecule
Emp. Form.:
C23H24N4O6S
Mol. Mass.:
484.525
SMILES:
Cc1nc2ccc(cc2c(=O)[nH]1)N(CC=C)Cc1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Structure:
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