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TargetThymidylate synthase
LigandBDBM50033933
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209795
IC50 4.4±n/a nM
Citation Marsham, PRJackman, ALBarker, AJBoyle, FTPegg, SJWardleworth, JMKimbell, RO'Connor, BMCalvert, AHHughes, LR Quinazoline antifolate thymidylate synthase inhibitors: replacement of glutamic acid in the C2-methyl series. J Med Chem38:994-1004 (1995) [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:
BDBM50033933
NameBDBM50033933
Synonyms:(R)-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-(3-nitro-phenyl)-acetic acid | CHEMBL6271
TypeSmall organic molecule
Emp. Form.C29H24FN5O6
Mol. Mass.557.5292
SMILESCc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](C(O)=O)c4cccc(c4)[N+]([O-])=O)c(F)c3)cc2c(=O)[nH]1
Structure
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n/a