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Target
Thymidylate synthase
Ligand
BDBM50025147
Substrate
n/a
Meas. Tech.
ChEMBL_209801 (CHEMBL815667)
IC50
30.0±n/a nM
Citation
 Jones, TR; Smithers, MJ; Taylor, MA; Jackman, AL; Calvert, AH; Harland, SJ; Harrap, KR Quinazoline antifolates inhibiting thymidylate synthase: benzoyl ring modifications. J Med Chem 29:468-72 (1986) [PubMed]
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:
BDBM50025147
Synonyms:
2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-chloro-benzoylamino}-pentanedioic acid | CHEMBL141546
Type:
Small organic molecule
Emp. Form.:
C24H22ClN5O6
Mol. Mass.:
511.914
SMILES:
Nc1nc2ccc(CN(CC#C)c3ccc(C(=O)NC(CCC(O)=O)C(O)=O)c(Cl)c3)cc2c(=O)[nH]1
Structure:
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