Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50012033
Substrate
n/a
Meas. Tech.
ChEBML_209797
IC50
3360±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:
Mus musculus
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50012033
Synonyms:
2-({5-[(3-Hydroxy-propyl)-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-thiophene-2-carbonyl}-amino)-pentanedioic acid | CHEMBL40707
Type:
Small organic molecule
Emp. Form.:
C23H26N4O7S
Mol. Mass.:
502.54
SMILES:
Cc1nc2ccc(CN(CCCO)c3ccc(s3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: