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Target
Thymidylate synthase
Ligand
BDBM50049287
Substrate
n/a
Meas. Tech.
ChEMBL_209813 (CHEMBL815678)
IC50
480±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:
BDBM50049287
Synonyms:
CHEMBL159633 | N-(3-Nitro-benzyl)-4-{[4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-3,4-dihydro-quinazolin-6-ylmethyl]-prop-2-ynyl-amino}-benzamide
Type:
Small organic molecule
Emp. Form.:
C31H25N7O4S
Mol. Mass.:
591.64
SMILES:
[O-][N+](=O)c1cccc(CNC(=O)c2ccc(cc2)N(CC#C)Cc2ccc3nc(CSc4ncccn4)[nH]c(=O)c3c2)c1
Structure:
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