Reaction Details Report a problem with these data
Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM50385279
Substrate
n/a
Meas. Tech.
ChEMBL_822563 (CHEMBL2039583)
IC50
570±n/a nM
Citation
 He, J; Li, D; Xiong, K; Ge, Y; Jin, H; Zhang, G; Hong, M; Tian, Y; Yin, J; Zeng, H Inhibition of thioredoxin reductase by a novel series of bis-1,2-benzisoselenazol-3(2H)-ones: Organoselenium compounds for cancer therapy. Bioorg Med Chem 20:3816-27 (2012) [PubMed]  Article 
Target
Name:
Thioredoxin reductase 1, cytoplasmic
Synonyms:
NADPH-dependent thioredoxin reductase | TR | TRXR1_RAT | Thioredoxin reductase TR1 | Trxr1 | Txnrd1
Type:
PROTEIN
Mol. Mass.:
54519.34
Organism:
Rattus norvegicus
Description:
ChEMBL_589950
Residue:
498
Sequence:
MNDSKDAPKSYDFDLIIIGGGSGGLAAAKEAAKFDKKVMVLDFVTPTPLGTRWGLGGTCVNVGCIPKKLMHQAALLGQALKDSRNYGWKLEDTVKHDWEKMTESVQNHIGSLNWGYRVALREKKVVYENAYGKFIGPHKIMATNNKGKEKVYSAERFLIATGERPRYLGIPGDKEYCISSDDLFSLPYCPGKTLVVGASYVALECAGFLAGIGLDVTVMVRSILLRGFDQDMANKIGEHMEEHGIKFIRQFVPTKIEQIEAGTPGRLKVTAKSTNSEETIEDEFNTVLLAVGRDSCTRTIGLETVGVKINEKTGKIPVTDEEQTNVPYIYAIGDILEGKLELTPVAIQAGRLLAQRLYGGSTVKCDYDNVPTTVFTPLEYGCCGLSEEKAVEKFGEENIEVYHSFFWPLEWTVPSRDNNKCYAKVICNLKDNERVVGFHVLGPNAGEVTQGFAAALKCGLTKQQLDSTIGIHPVCAEIFTTLSVTKRSGGDILQSGCG
  
Inhibitor
Name:
BDBM50385279
Synonyms:
CHEMBL2035484
Type:
Small organic molecule
Emp. Form.:
C16H10N4O6Se2
Mol. Mass.:
512.19
SMILES:
[O-][N+](=O)c1ccc2[se]n(CCn3[se]c4ccc(cc4c3=O)[N+]([O-])=O)c(=O)c2c1
Structure:
Search PDB for entries with ligand similarity: