Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate synthase
LigandBDBM50408135
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209984
Ki 2±n/a nM
Citation Bavetsias, VJackman, ALMarriott, JHKimbell, RGibson, WBoyle, FTBisset, GM Folate-based inhibitors of thymidylate synthase: synthesis and antitumor activity of gamma-linked sterically hindered dipeptide analogues of 2-desamino-2-methyl-N10-propargyl-5,8-dideazafolic acid (ICI 198583). J Med Chem40:1495-510 (1997) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50408135
NameBDBM50408135
Synonyms:CHEMBL288666
TypeSmall organic molecule
Emp. Form.C30H31N5O9
Mol. Mass.605.5952
SMILESCc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](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