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Target
Thymidylate synthase
Ligand
BDBM50023639
Substrate
n/a
Meas. Tech.
ChEBML_209978
Ki
48000±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 | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mus musculus
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50023639
Synonyms:
CHEMBL3144192 | Phosphoric acid mono-{5-[5-(4-dimethylamino-phenyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethyl} ester
Type:
Small organic molecule
Emp. Form.:
C17H22N3O8P
Mol. Mass.:
427.3456
SMILES:
CN(C)c1ccc(cc1)-c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Structure:
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