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Target
Thymidylate synthase
Ligand
BDBM50014490
Substrate
n/a
Meas. Tech.
ChEBML_209971
IC50
640±n/a nM
Citation
 Hughes, LR; Jackman, AL; Oldfield, J; Smith, RC; Burrows, KD; Marsham, PR; Bishop, JA; Jones, TR; O'Connor, BM; Calvert, AH Quinazoline antifolate thymidylate synthase inhibitors: alkyl, substituted alkyl, and aryl substituents in the C2 position. J Med Chem 33:3060-7 (1990) [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:
BDBM50014490
Synonyms:
(S)-2-(4-(((2-(hydroxymethyl)-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid | 2-{4-[(2-Hydroxymethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL321284
Type:
Small organic molecule
Emp. Form.:
C23H24N4O7
Mol. Mass.:
468.4593
SMILES:
CN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Structure:
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