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TargetThymidylate synthase
LigandBDBM50088157
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209985
Ki 2.2±n/a nM
Citation Bavetsias, VMarriott, JHMelin, CKimbell, RMatusiak, ZSBoyle, FTJackman, AL Design and synthesis of Cyclopenta[g]quinazoline-based antifolates as inhibitors of thymidylate synthase and potential antitumor agents(,). J Med Chem43:1910-26 (2000) [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:
BDBM50088157
NameBDBM50088157
Synonyms:2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-4-[1-(1H-tetrazol-5-yl)-ethylcarbamoyl]-butyric acid | CHEMBL59261
TypeSmall organic molecule
Emp. Form.C30H31N9O5
Mol. Mass.597.6244
SMILESC[C@@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O)c1nnn[nH]1
Structure
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n/a