Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50423456
Substrate
n/a
Meas. Tech.
ChEMBL_458941 (CHEMBL925035)
Ki
301995172±n/a nM
Citation
 Jarmula, A; Cieplak, P; Krygowski, TM; Rode, W The effect of 5-substitution in the pyrimidine ring of dUMP on the interaction with thymidylate synthase: molecular modeling and QSAR. Bioorg Med Chem 15:2346-58 (2007) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mouse
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50423456
Synonyms:
CHEMBL255050
Type:
Small organic molecule
Emp. Form.:
C8H10ClN2O8P
Mol. Mass.:
328.6
SMILES:
O[C@H]1C[C@@H](O[C@@H]1OP(O)(O)=O)n1cc(Cl)c(=O)[nH]c1=O
Structure:
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