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Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM50385289
Substrate
n/a
Meas. Tech.
ChEMBL_822563 (CHEMBL2039583)
IC50
>50000±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:
BDBM50385289
Synonyms:
CHEMBL2035475
Type:
Small organic molecule
Emp. Form.:
C22H22N2O2Se2
Mol. Mass.:
504.34
SMILES:
Cc1ccc2[se]n(C3CCC(CC3)n3[se]c4ccc(C)cc4c3=O)c(=O)c2c1 |(31.64,-34.83,;32.98,-35.6,;32.98,-37.14,;34.31,-37.91,;35.64,-37.14,;37.12,-37.62,;38.03,-36.37,;39.57,-36.37,;40.33,-37.7,;41.86,-37.7,;42.64,-36.37,;41.87,-35.04,;40.33,-35.03,;44.18,-36.38,;45.13,-37.61,;46.59,-37.08,;47.95,-37.81,;49.25,-37,;49.2,-35.45,;50.51,-34.64,;47.85,-34.73,;46.54,-35.53,;45.05,-35.1,;44.53,-33.65,;37.12,-35.11,;37.59,-33.65,;35.64,-35.59,;34.31,-34.83,)|
Structure:
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