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TargetThymidylate synthase
LigandBDBM50006694
Substrate/Competitorn/a
Meas. Tech.ChEBML_225607
IC50 120±n/a nM
Citation Thornton, TJJackman, ALMarsham, PRO'Connor, BMBishop, JACalvert, AH Quinazoline antifolate thymidylate synthase inhibitors: difluoro-substituted benzene ring analogues. J Med Chem35:2321-7 (1992) [PubMed]  Article
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Thymidylate synthase
Name:Thymidylate synthase
Synonyms:TS | TSase
Type:PROTEIN
Mol. Mass.:34957.15
Organism:Mus musculus
Description:ChEMBL_1340097
Residue:307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYS
LRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSAR
QEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKD
LPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPG
DFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPT
IKMEMAV
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BDBM50006694
NameBDBM50006694
Synonyms:(S)-2-(2-fluoro-4-(methyl((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amino)benzamido)pentanedioic acid | 2-{2-Fluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | 2-{2-Fluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate(H2O) | CHEMBL307914
TypeSmall organic molecule
Emp. Form.C23H23FN4O6
Mol. Mass.470.4503
SMILESCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1
Structure
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n/a