Reaction Details Report a problem with these data
Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM50462013
Substrate
n/a
Meas. Tech.
ChEMBL_2018404 (CHEMBL4671982)
IC50
1800±n/a nM
Citation
 Zhu, P; Qian, J; Xu, Z; Meng, C; Liu, J; Shan, W; Zhu, W; Wang, Y; Yang, Y; Zhang, W; Zhang, Y; Ling, Y Piperlonguminine and Piperine Analogues as TrxR Inhibitors that Promote ROS and Autophagy and Regulate p38 and Akt/mTOR Signaling. J Nat Prod 83:3041-3049 (2020) [PubMed]  Article 
Target
Name:
Thioredoxin reductase 1, cytoplasmic
Synonyms:
KM-102-derived reductase-like factor | TR | GRIM-12 | Gene associated with retinoid-IFN-induced mortality 12 protein | Thioredoxin reductase 1 | Thioredoxin reductase TR1 | TRXR1_HUMAN | TXNRD1 | GRIM12 | KDRF | Thioredoxin reductase 1 (TrxR)
Type:
Protein
Mol. Mass.:
70761.78
Organism:
Human
Description:
Q16881
Residue:
648
Sequence:
MGCAEGKAVAAAAPTELQTKGKNGDGRRRSAKDHHPGKTLPENPAGFTSTATADSRALLQAYIDGHSVVIFSRSTCTRCTEVKKLFKSLCVPYFVLELDQTEDGRALEGTLSELAAETDLPVVFVKQRKIGGHGPTLKAYQEGRLQKLLKMNGPEDLPKSYDYDLIIIGGGSGGLAAAKEAAQYGKKVMVLDFVTPTPLGTRWGLGGTCVNVGCIPKKLMHQAALLGQALQDSRNYGWKVEETVKHDWDRMIEAVQNHIGSLNWGYRVALREKKVVYENAYGQFIGPHRIKATNNKGKEKIYSAERFLIATGERPRYLGIPGDKEYCISSDDLFSLPYCPGKTLVVGASYVALECAGFLAGIGLDVTVMVRSILLRGFDQDMANKIGEHMEEHGIKFIRQFVPIKVEQIEAGTPGRLRVVAQSTNSEEIIEGEYNTVMLAIGRDACTRKIGLETVGVKINEKTGKIPVTDEEQTNVPYIYAIGDILEDKVELTPVAIQAGRLLAQRLYAGSTVKCDYENVPTTVFTPLEYGACGLSEEKAVEKFGEENIEVYHSYFWPLEWTIPSRDNNKCYAKIICNTKDNERVVGFHVLGPNAGEVTQGFAAALKCGLTKKQLDSTIGIHPVCAEVFTTLSVTKRSGASILQAGCG
  
Inhibitor
Name:
BDBM50462013
Synonyms:
CHEBI:8241 | Piplartine
Type:
Small organic molecule
Emp. Form.:
C17H19NO5
Mol. Mass.:
317.34
SMILES:
COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O
Structure:
Search PDB for entries with ligand similarity: