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TargetThymidylate synthase
LigandBDBM50012244
Substrate/Competitorn/a
Meas. Tech.ChEBML_209778
Ki 8.5±n/a nM
Citation Appelt, KBacquet, RJBartlett, CABooth, CLFreer, STFuhry, MAGehring, MRHerrmann, SMHowland, EFJanson, CA Design of enzyme inhibitors using iterative protein crystallographic analysis. J Med Chem34:1925-34 (1991) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thymidylate synthase
Name:Thymidylate synthase/GAR transformylase/AICAR transformylase
Synonyms:TS | TSase | Thymidylate synthase (TS)
Type:Enzyme
Mol. Mass.:35718.07
Organism:Homo sapiens (Human)
Description:n/a
Residue:313
Sequence:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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  Blast E-value cutoff:
BDBM50012244
NameBDBM50012244
Synonyms:2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(DMPDDF) | CHEMBL25889
TypeSmall organic molecule
Emp. Form.C25H24N4O6
Mol. Mass.476.4813
SMILESCc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a