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Target
Thymidylate synthase
Ligand
BDBM50049284
Substrate
n/a
Meas. Tech.
ChEMBL_209813 (CHEMBL815678)
IC50
840.0±n/a nM
Citation
 Hennequin, LF; Boyle, FT; Wardleworth, JM; Marsham, PR; Kimbell, R; Jackman, AL Quinazoline antifolates thymidylate synthase inhibitors: lipophilic analogues with modification to the C2-methyl substituent. J Med Chem 39:695-704 (1996) [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:
BDBM50049284
Synonyms:
4-{[2-(4-Amino-pyrimidin-2-ylsulfanylmethyl)-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl]-prop-2-ynyl-amino}-N-(3-nitro-benzyl)-benzamide | CHEMBL158807
Type:
Small organic molecule
Emp. Form.:
C31H26N8O4S
Mol. Mass.:
606.654
SMILES:
Nc1ccnc(SCc2nc3ccc(CN(CC#C)c4ccc(cc4)C(=O)NCc4cccc(c4)[N+]([O-])=O)cc3c(=O)[nH]2)n1
Structure:
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