Reaction Details Report a problem with these data
Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM524193
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
4060±n/a nM
Citation
 Pelcman, B; Stafford, W Heterocyclylsulfonyl-substituted pyridines and their use in the treatment of cancer US Patent  US11168069 Publication Date 11/9/2021 
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:
BDBM524193
Synonyms:
US11168069, Example 6
Type:
Small organic molecule
Emp. Form.:
C13H19N3O5S
Mol. Mass.:
329.372
SMILES:
COc1ccc(c(n1)S(=O)C1CCN(CC1)C(C)=O)N(O)=O
Structure:
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