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Target
Thymidylate synthase
Ligand
BDBM50049289
Substrate
n/a
Meas. Tech.
ChEMBL_209813 (CHEMBL815678)
IC50
820.0±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:
BDBM50049289
Synonyms:
4-[(2-{[(2-Dimethylamino-ethyl)-methyl-amino]-methyl}-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-N-(3-nitro-benzyl)-benzamide | CHEMBL234704
Type:
Small organic molecule
Emp. Form.:
C32H35N7O4
Mol. Mass.:
581.6648
SMILES:
CN(C)CCN(C)Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccc(c3)[N+]([O-])=O)cc2c(=O)[nH]1
Structure:
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