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Target
Thymidylate synthase
Ligand
BDBM50054514
Substrate
n/a
Meas. Tech.
ChEMBL_209626 (CHEMBL816742)
IC50
340±n/a nM
Citation
 Gangjee, A; Mavandadi, F; Kisliuk, RL; McGuire, JJ; Queener, SF 2-amino-4-oxo-5-substituted-pyrrolo[2,3-d]pyrimidines as nonclassical antifolate inhibitors of thymidylate synthase. J Med Chem 39:4563-8 (1996) [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:
BDBM50054514
Synonyms:
2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one | CHEMBL57310
Type:
Small organic molecule
Emp. Form.:
C12H11N5OS
Mol. Mass.:
273.314
SMILES:
Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Structure:
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