Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50314077
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
390±n/a nM
Citation
 Gangjee, A Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof US Patent  US9422297 Publication Date 8/23/2016 
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:
BDBM50314077
Synonyms:
5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diamine | CHEMBL1093100 | US9422297, AAG-148-311
Type:
Small organic molecule
Emp. Form.:
C17H15N5S
Mol. Mass.:
321.4
SMILES:
Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1
Structure:
Search PDB for entries with ligand similarity: