Target
Thymidylate synthase
Ligand
BDBM50012031
Substrate
n/a
Meas. Tech.
ChEBML_209797
IC50
440±n/a nM
Citation
 Marsham, PRHughes, LRJackman, ALHayter, AJOldfield, JWardleworth, JMBishop, JAO'Connor, BMCalvert, 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:
BDBM50012031
Synonyms:
2-({5-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-thiophene-2-carbonyl}-amino)-pentanedioic acid | CHEMBL418433
Type:
Small organic molecule
Emp. Form.:
C23H22N4O6S
Mol. Mass.:
482.509
SMILES:
Cc1nc2ccc(CN(CC#C)c3ccc(s3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Structure:
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