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Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM50462013
Substrate
n/a
Meas. Tech.
ChEMBL_1861479 (CHEMBL4362335)
IC50
45880±n/a nM
Citation
 Jovanović, M; Zhukovsky, D; Podolski-Renić, A; Domračeva, I; Žalubovskis, R; Senćanski, M; Glišić, S; Sharoyko, V; Tennikova, T; Dar'in, D; Pešić, M; Krasavin, M Novel electrophilic amides amenable by the Ugi reaction perturb thioredoxin system via thioredoxin reductase 1 (TrxR1) inhibition: Identification of DVD-445 as a new lead compound for anticancer therapy. Eur J Med Chem 181:0 (2019) [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:
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