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TargetThymidylate synthase
LigandBDBM50046660
Substrate/Competitorn/a
Meas. Tech.ChEMBL_219325
Ki 0.124±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:
BDBM50046660
NameBDBM50046660
Synonyms:2-[4-(2-Amino-6-methyl-4-oxo-3,4-dihydro-quinazolin-5-ylsulfanyl)-benzoylamino]-pentanedioic acid | CHEMBL166027
TypeSmall organic molecule
Emp. Form.C21H20N4O6S
Mol. Mass.456.472
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@H](CCC(O)=O)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a