Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThioredoxin reductase 2, mitochondrial
LigandBDBM50060874
Substrate/Competitorn/a
Meas. Tech.ChEMBL_700049 (CHEMBL1646826)
IC50 49000±n/a nM
Citation Sorrentino, FKarioti, AGratteri, PRigobello, MPScutari, GMessori, LBindoli, AChioccioli, MGabbiani, CBergonzi, MCBilia, AR Hypericins and thioredoxin reductase: Biochemical and docking studies disclose the molecular basis for effective inhibition by naphthodianthrones. Bioorg Med Chem19:631-41 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thioredoxin reductase 2, mitochondrial
Name:Thioredoxin reductase 2, mitochondrial
Synonyms:TRXR2_RAT | Trxr2 | Txnrd2
Type:PROTEIN
Mol. Mass.:56441.28
Organism:Rattus norvegicus
Description:ChEMBL_700049
Residue:525
Sequence:
MAAIVAALRGSSGRFRPQTRVLTRGTRGAAGAASAAGGQQNFDLLVIGGGSGGLACAKEA
AQLGRKVAVADYVEPSPRGTKWGLGGTCVNVGCIPKKLMHQAALLGGMIRDAQHYGWEVA
QPVQHNWKAMAEAVQNHVKSLNWGHRVQLQDRKVKYFNIKASFVNEHTVHGVDKAGKVTQ
LSAKHIVIATGGRPKYPTQVKGALEHGITSDDIFWLKESPGKTLVVGASYVALECAGFLT
GIGLDTTVMMRSVPLRGFDQQMASLVTEHMESHGTRFLKGCVPSLIRKLPTNQLQVTWED
LASGKEDVGTFDTVLWAIGRVPETRNLNLEKAGVNTNPKNQKIIVDAQEATSVPHIYAIG
DVAEGRPELTPTAIKAGKLLAQRLFGKSSTLMNYSNVPTTVFTPLEYGCVGLSEEEAVAL
HGQEHIEVYHAYYKPLEFTVADRDASQCYIKMVCMREPPQLVLGLHFLGPNAGEVTQGFA
LGIQCGASYAQVMQTVGIHPTCSEEVVKLHISKRSGLDPTVTGCG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50060874
n/a
NameBDBM50060874
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
TypeSmall organic molecule
Emp. Form.C30H16O8
Mol. Mass.504.4432
SMILESCc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: