Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50012524
Substrate
n/a
Meas. Tech.
ChEBML_209810
IC50
24800±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:
BDBM50012524
Synonyms:
(S)-2-(5-((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methylamino)thiophene-2-carboxamido)pentanedioic acid | 2-({5-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-thiophene-2-carbonyl}-amino)-pentanedioic acid | CHEMBL68969
Type:
Small organic molecule
Emp. Form.:
C20H20N4O6S
Mol. Mass.:
444.461
SMILES:
Cc1nc2ccc(CNc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: