Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50226709
Substrate
n/a
Meas. Tech.
ChEMBL_209970 (CHEMBL820626)
Ki
6100±n/a nM
Citation
 Al-Razzak, LA; Schwepler, D; Decedue, CJ; Balzarini, J; De Clercq, E; Mertes, MP 5-Quinone derivatives of 2'-deoxyuridine 5'-phosphate: inhibition and inactivation of thymidylate synthase, antitumor cell, and antiviral studies. J Med Chem 30:409-19 (1987) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mus musculus
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50226709
Synonyms:
CHEMBL3143111
Type:
Small organic molecule
Emp. Form.:
C17H19N2O10P
Mol. Mass.:
442.3139
SMILES:
CC1=C(C)C(=O)C(=CC1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,c:1,6|
Structure:
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