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Target
Thymidylate synthase
Ligand
BDBM50094623
Substrate
n/a
Meas. Tech.
ChEMBL_225609 (CHEMBL874101)
Ki
7680±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:
BDBM50094623
Synonyms:
CHEMBL142885 | Phosphoric acid mono-[3-hydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester(IdUMP) | [5-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
Type:
Small organic molecule
Emp. Form.:
C9H12IN2O8P
Mol. Mass.:
434.0784
SMILES:
OC1CC(OC1COP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O
Structure:
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