Reaction Details Report a problem with these data
Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM50385284
Substrate
n/a
Meas. Tech.
ChEMBL_822563 (CHEMBL2039583)
IC50
10490±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:
BDBM50385284
Synonyms:
CHEMBL2035479
Type:
Small organic molecule
Emp. Form.:
C21H19FN2O2Se2
Mol. Mass.:
508.31
SMILES:
Cc1ccc2[se]n(C3CCC(CC3)n3[se]c4ccc(F)cc4c3=O)c(=O)c2c1 |(-10.91,4.24,;-9.58,3.48,;-9.58,1.93,;-8.25,1.16,;-6.92,1.93,;-5.44,1.45,;-4.53,2.71,;-2.99,2.71,;-2.23,1.38,;-.7,1.37,;.08,2.7,;-.69,4.04,;-2.23,4.05,;1.62,2.69,;2.57,1.47,;4.03,1.99,;5.39,1.27,;6.7,2.08,;6.64,3.62,;7.95,4.43,;5.29,4.35,;3.98,3.54,;2.49,3.97,;1.97,5.42,;-5.44,3.96,;-4.97,5.43,;-6.92,3.48,;-8.25,4.25,)|
Structure:
Search PDB for entries with ligand similarity: