Reaction Details Report a problem with these data
Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM50515532
Substrate
n/a
Meas. Tech.
ChEMBL_1861479 (CHEMBL4362335)
IC50
76620±n/a nM
Citation
 Jovanovi?, M; Zhukovsky, D; Podolski-Reni?, A; Domra?eva, I; ?alubovskis, R; Sen?anski, M; Gli?i?, S; Sharoyko, V; Tennikova, T; Dar'in, D; Pe?i?, 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:
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:
BDBM50515532
Synonyms:
CHEMBL4515694
Type:
Small organic molecule
Emp. Form.:
C28H34N2O5
Mol. Mass.:
478.58
SMILES:
COc1ccc(cc1OC)C(N(C1CC1)C(=O)\C=C\C(=O)c1ccc(C)cc1)C(=O)NC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: