Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50010329
Substrate
n/a
Meas. Tech.
ChEMBL_1340096 (CHEMBL3255837)
Ki
110000±n/a nM
Citation
 Edelman, MS; Barfknecht, RL; Huet-Rose, R; Boguslawski, S; Mertes, MP Thymidylate synthetase inhibitors. Synthesis of N-substituted 5-aminomethyl-2'-deoxyuridine 5'-phosphates. J Med Chem 20:669-73 (1977) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TYMS | TYSY_BOVIN
Type:
PROTEIN
Mol. Mass.:
39780.66
Organism:
Bos taurus
Description:
ChEMBL_108292
Residue:
354
Sequence:
MPAAGSEPSRPPSPPGVQEQSAEPRPPPPPHGELQYLGQIEHILRCGFRRDDRTGTGTLSVFGMQARYNLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDGLGFSDRAEGDLGPVYGFQWRHFGAEYKDMDSEYSGQGVDQLQKVIDTIKTNPNDRRIILCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITDLKPGDFVHTLGDAHIYLNHIEPLKTQALMELRGQSSRSLDGDGQAGTSRWAPVATDTERDRCCELQREPRPFPKLKILRKVETIDDFQAEDFQIEGYNPNPTIKMEMAV
  
Inhibitor
Name:
BDBM50010329
Synonyms:
CHEMBL3248469
Type:
Small organic molecule
Emp. Form.:
C12H20N3O8P
Mol. Mass.:
365.2763
SMILES:
CN(C)Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Structure:
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