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Target
Thymidylate synthase
Ligand
BDBM50025148
Substrate
n/a
Meas. Tech.
ChEBML_209801
IC50
14±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:
BDBM50025148
Synonyms:
2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-3,5-dichloro-benzoylamino}-pentanedioic acid | CHEMBL357672
Type:
Small organic molecule
Emp. Form.:
C24H21Cl2N5O6
Mol. Mass.:
546.359
SMILES:
Nc1nc2ccc(CN(CC#C)c3c(Cl)cc(cc3Cl)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Structure:
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