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TargetThymidylate synthase
LigandBDBM50046665
Substrate/Competitorn/a
Meas. Tech.ChEMBL_219325
Ki 1.31±n/a nM
Citation Webber, SEBleckman, TMAttard, JDeal, JGKathardekar, VWelsh, KMWebber, SJanson, CAMatthews, DASmith, WW Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones. J Med Chem36:733-46 (1993) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50046665
NameBDBM50046665
Synonyms:2-[4-(2,6-Dimethyl-4-oxo-3,4-dihydro-quinazolin-5-ylsulfanyl)-benzoylamino]-pentanedioic acid | CHEMBL166369
TypeSmall organic molecule
Emp. Form.C22H21N3O6S
Mol. Mass.455.484
SMILESCc1nc2ccc(C)c(Sc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Structure
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n/a