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Target
Thioredoxin reductase 1, cytoplasmic
Ligand
BDBM50060874
Substrate
n/a
Meas. Tech.
ChEMBL_700048 (CHEMBL1646825)
IC50
198000±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:
BDBM50060874
Synonyms:
1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione | 1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione | CHEMBL286494 | Hypericin | Hyperizin | hipericina | hypericine | hypericum red
Type:
Small organic molecule
Emp. Form.:
C30H16O8
Mol. Mass.:
504.4432
SMILES:
Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O
Structure:
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