Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM82175
Substrate
n/a
Meas. Tech.
Tritium Release Assay
pH
7.5±0
Temperature
277.15±0 K
IC50
7.0e+4±n/a nM
Kd
2e+3±n/a nM
Citation
 Begley, DW; Zheng, S; Varani, G Fragment-based discovery of novel thymidylate synthase leads by NMR screening and group epitope mapping. Chem Biol Drug Des 76:218-33 (2010) [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:
BDBM82175
Synonyms:
MV1570
Type:
Small organic molecule
Emp. Form.:
C22H19N3O2S2
Mol. Mass.:
421.535
SMILES:
O=C(NCCc1c[nH]c2ccccc12)C(\NC(=O)c1cccs1)=C/c1cccs1
Structure:
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