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Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM32021
Substrate
n/a
Meas. Tech.
ChEMBL_700048 (CHEMBL1646825)
IC50
84000±n/a nM
Citation
 Sorrentino, F; Karioti, A; Gratteri, P; Rigobello, MP; Scutari, G; Messori, L; Bindoli, A; Chioccioli, M; Gabbiani, C; Bergonzi, MC; Bilia, AR Hypericins and thioredoxin reductase: Biochemical and docking studies disclose the molecular basis for effective inhibition by naphthodianthrones. Bioorg Med Chem 19:631-41 (2011) [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:
BDBM32021
Synonyms:
4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid | 4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid | 4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid | 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid | MLS000069639 | RHEIN | SMR000058210 | US20230364057, Compound 82 | US9238626, Rhein | cid_10168
Type:
Small organic molecule
Emp. Form.:
C15H8O6
Mol. Mass.:
284.2204
SMILES:
OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Structure:
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