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TargetThymidylate synthase
LigandBDBM50081243
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209961
IC50 1.6±n/a nM
Citation Marsham, PRWardleworth, JMBoyle, FTHennequin, LFKimbell, RBrown, MJackman, AL Design and synthesis of potent non-polyglutamatable quinazoline antifolate thymidylate synthase inhibitors. J Med Chem42:3809-20 (1999) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
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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  Blast E-value cutoff:
BDBM50081243
NameBDBM50081243
Synonyms:2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-octanedioic acid | CHEMBL341334
TypeSmall organic molecule
Emp. Form.C29H31FN4O6
Mol. Mass.550.578
SMILESCc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)NC(CCCCCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1
Structure
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n/a