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Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM50515537
Substrate
n/a
Meas. Tech.
ChEMBL_1861480 (CHEMBL4362336)
IC50
1250±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:
NADPH-dependent thioredoxin reductase | TR | TRXR1_RAT | Thioredoxin reductase TR1 | Trxr1 | Txnrd1
Type:
PROTEIN
Mol. Mass.:
54519.34
Organism:
Rattus norvegicus
Description:
ChEMBL_589950
Residue:
498
Sequence:
MNDSKDAPKSYDFDLIIIGGGSGGLAAAKEAAKFDKKVMVLDFVTPTPLGTRWGLGGTCVNVGCIPKKLMHQAALLGQALKDSRNYGWKLEDTVKHDWEKMTESVQNHIGSLNWGYRVALREKKVVYENAYGKFIGPHKIMATNNKGKEKVYSAERFLIATGERPRYLGIPGDKEYCISSDDLFSLPYCPGKTLVVGASYVALECAGFLAGIGLDVTVMVRSILLRGFDQDMANKIGEHMEEHGIKFIRQFVPTKIEQIEAGTPGRLKVTAKSTNSEETIEDEFNTVLLAVGRDSCTRTIGLETVGVKINEKTGKIPVTDEEQTNVPYIYAIGDILEGKLELTPVAIQAGRLLAQRLYGGSTVKCDYDNVPTTVFTPLEYGCCGLSEEKAVEKFGEENIEVYHSFFWPLEWTVPSRDNNKCYAKVICNLKDNERVVGFHVLGPNAGEVTQGFAAALKCGLTKQQLDSTIGIHPVCAEIFTTLSVTKRSGGDILQSGCG
  
Inhibitor
Name:
BDBM50515537
Synonyms:
CHEMBL4589636
Type:
Small organic molecule
Emp. Form.:
C30H39FN2O6
Mol. Mass.:
542.6389
SMILES:
COc1cc(cc(OC)c1OC)C(N(CCC(C)C)C(=O)\C=C\C(=O)c1ccc(F)cc1)C(=O)NC(C)(C)C
Structure:
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