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Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM50576853
Substrate
n/a
Meas. Tech.
ChEMBL_2128404 (CHEMBL4837833)
IC50
9.2±n/a nM
Citation
 Ayoup, MS; Abu-Serie, MM; Abdel-Hamid, H; Teleb, M Beyond direct Nrf2 activation; reinvestigating 1,2,4-oxadiazole scaffold as a master key unlocking the antioxidant cellular machinery for cancer therapy. Eur J Med Chem 220:0 (2021) [PubMed]  Article 
Target
Name:
Thioredoxin reductase 1, cytoplasmic
Synonyms:
GRIM-12 | GRIM12 | Gene associated with retinoid-IFN-induced mortality 12 protein | KDRF | KM-102-derived reductase-like factor | TR | TRXR1_HUMAN | TXNRD1 | Thioredoxin reductase 1 | Thioredoxin reductase 1 (TrxR) | Thioredoxin reductase TR1
Type:
Protein
Mol. Mass.:
70761.78
Organism:
Homo sapiens (Human)
Description:
Q16881
Residue:
648
Sequence:
MGCAEGKAVAAAAPTELQTKGKNGDGRRRSAKDHHPGKTLPENPAGFTSTATADSRALLQAYIDGHSVVIFSRSTCTRCTEVKKLFKSLCVPYFVLELDQTEDGRALEGTLSELAAETDLPVVFVKQRKIGGHGPTLKAYQEGRLQKLLKMNGPEDLPKSYDYDLIIIGGGSGGLAAAKEAAQYGKKVMVLDFVTPTPLGTRWGLGGTCVNVGCIPKKLMHQAALLGQALQDSRNYGWKVEETVKHDWDRMIEAVQNHIGSLNWGYRVALREKKVVYENAYGQFIGPHRIKATNNKGKEKIYSAERFLIATGERPRYLGIPGDKEYCISSDDLFSLPYCPGKTLVVGASYVALECAGFLAGIGLDVTVMVRSILLRGFDQDMANKIGEHMEEHGIKFIRQFVPIKVEQIEAGTPGRLRVVAQSTNSEEIIEGEYNTVMLAIGRDACTRKIGLETVGVKINEKTGKIPVTDEEQTNVPYIYAIGDILEDKVELTPVAIQAGRLLAQRLYAGSTVKCDYENVPTTVFTPLEYGACGLSEEKAVEKFGEENIEVYHSYFWPLEWTIPSRDNNKCYAKIICNTKDNERVVGFHVLGPNAGEVTQGFAAALKCGLTKKQLDSTIGIHPVCAEVFTTLSVTKRSGASILQAGCG
  
Inhibitor
Name:
BDBM50576853
Synonyms:
CHEMBL4859206
Type:
Small organic molecule
Emp. Form.:
C15H9F3N2O2
Mol. Mass.:
306.2394
SMILES:
Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: