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Target
Thymidylate synthase
Ligand
BDBM50012024
Substrate
n/a
Meas. Tech.
ChEBML_209797
IC50
2340±n/a nM
Citation
 Marsham, PR; Hughes, LR; Jackman, AL; Hayter, AJ; Oldfield, J; Wardleworth, JM; Bishop, JA; O'Connor, BM; Calvert, AH Quinazoline antifolate thymidylate synthase inhibitors: heterocyclic benzoyl ring modifications. J Med Chem 34:1594-605 (1991) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mouse
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50012024
Synonyms:
(S)-2-(5-(methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)pyrimidine-2-carboxamido)pentanedioic acid | 2-({5-[Methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-pyrimidine-2-carbonyl}-amino)-pentanedioic acid | CHEMBL40195
Type:
Small organic molecule
Emp. Form.:
C21H22N6O6
Mol. Mass.:
454.436
SMILES:
CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1cnc(nc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Structure:
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