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Target
Thymidylate synthase
Ligand
BDBM50444516
Substrate
n/a
Meas. Tech.
ChEMBL_1281371 (CHEMBL3101466)
IC50
481±n/a nM
Citation
 Zaware, N; Sharma, H; Yang, J; Devambatla, RK; Queener, SF; Anderson, KS; Gangjee, A Discovery of potent and selective inhibitors of ACS Med Chem Lett 4:1148-1151 (2013) [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:
BDBM50444516
Synonyms:
CHEMBL3099580
Type:
Small organic molecule
Emp. Form.:
C16H12N4OS
Mol. Mass.:
308.358
SMILES:
Nc1nc2[nH]c3cccc(Sc4ccccc4)c3c2c(=O)[nH]1
Structure:
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