Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50094622
Substrate
n/a
Meas. Tech.
ChEMBL_225609 (CHEMBL874101)
Ki
1910±n/a nM
Citation
 Felczak, K; Miazga, A; Poznanski, J; Bretner, M; Kulikowski, T; Dzik, JM; Golos, B; Zielinski, Z; Ciesla, J; Rode, W 5-Substituted N(4)-hydroxy-2'-deoxycytidines and their 5'-monophosphates: synthesis, conformation, interaction with tumor thymidylate synthase, and in vitro antitumor activity. J Med Chem 43:4647-56 (2001) [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:
BDBM50094622
Synonyms:
1-(beta--D-2-Deoxyribofuranosyl)-4-hydroxyamino-5-hydroxymethylpyrimidin-2(1H)-one 5'-monophosphate
Type:
Small organic molecule
Emp. Form.:
C10H14N3O9P
Mol. Mass.:
351.2077
SMILES:
OCc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)nc1NO
Structure:
Search PDB for entries with ligand similarity: