Target
Thymidylate synthase
Ligand
BDBM50014511
Substrate
n/a
Meas. Tech.
ChEBML_209796
IC50
11720±n/a nM
Citation
 Marsham, PRJackman, ALOldfield, JHughes, LRThornton, TJBisset, GMO'Connor, BMBishop, JACalvert, AH Quinazoline antifolate thymidylate synthase inhibitors: benzoyl ring modifications in the C2-methyl series. J Med Chem 33:3072-8 (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:
BDBM50014511
Synonyms:
(S)-2-(4-((2-aminoethyl)((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)-2-fluorobenzamido)pentanedioic acid | 2-{4-[(2-Amino-ethyl)-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-2-fluoro-benzoylamino}-pentanedioic acid | CHEMBL104110
Type:
Small organic molecule
Emp. Form.:
C24H26FN5O6
Mol. Mass.:
499.4915
SMILES:
Cc1nc2ccc(CN(CCN)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: