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Target
Thymidylate synthase
Ligand
BDBM50028106
Substrate
n/a
Meas. Tech.
ChEMBL_209657 (CHEMBL811597)
Ki
150000±n/a nM
Citation
 Srinivasan, A; Amarnath, V; Broom, AD; Zou, FC; Cheng, YC A potent multisubstrate analogue inhibitor of human thymidylate synthetase. J Med Chem 27:1710-7 (1985) [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:
BDBM50028106
Synonyms:
CHEMBL46945 | diethyl 2-{4-[2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-ylmethyl(nitroso)amino]phenylcarboxamido}pentanedioate
Type:
Small organic molecule
Emp. Form.:
C24H31N7O7
Mol. Mass.:
529.5456
SMILES:
CCOC(=O)CCC(NC(=O)c1ccc(cc1)N(CC1CCc2nc(N)[nH]c(=O)c2N1)N=O)C(=O)OCC
Structure:
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