Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50023645
Substrate
n/a
Meas. Tech.
ChEBML_209777
Ki
5600±n/a nM
Citation
 Chang, G; Schwepler, D; Decedue, CJ; Balzarini, J; De Clercq, E; Mertes, MP Linear free energy relationship studies of enzyme active site binding: thymidylate synthase. J Med Chem 31:1141-7 (1988) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase
Type:
Enzyme
Mol. Mass.:
35718.07
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
313
Sequence:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50023645
Synonyms:
CHEMBL3144187 | Phosphoric acid mono-[5-(2,4-dioxo-5-p-tolyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
Type:
Small organic molecule
Emp. Form.:
C16H19N2O8P
Mol. Mass.:
398.3044
SMILES:
Cc1ccc(cc1)-c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Structure:
Search PDB for entries with ligand similarity: