Reaction Details Report a problem with these data
Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM531217
Substrate
n/a
Meas. Tech.
Inhibition of Recombinant TrxR1 and GR
IC50
3.16±0 nM
Citation
 Pelcman, B; Orwar, O; Stafford, W; Andersson, K Sulfinylpyridines and their use in the treatment of cancer US Patent  US11208384 Publication Date 12/28/2021 
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:
BDBM531217
Synonyms:
US11208384, Example 1
Type:
Small organic molecule
Emp. Form.:
C12H9ClN2O4S
Mol. Mass.:
312.729
SMILES:
COc1ccc(c(n1)S(=O)c1ccc(Cl)cc1)[N+]([O-])=O
Structure:
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