Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThioredoxin glutathione reductase
LigandBDBM50049864
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1455608 (CHEMBL3365309)
IC50 8500±n/a nM
Citation Guglielmo, SCortese, DVottero, FRolando, BKommer, VPWilliams, DLFruttero, RGasco, A New praziquantel derivatives containing NO-donor furoxans and related furazans as active agents against Schistosoma mansoni. Eur J Med Chem84:135-45 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thioredoxin glutathione reductase
Name:Thioredoxin glutathione reductase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:64881.48
Organism:Schistosoma mansoni
Description:ChEMBL_1455608
Residue:597
Sequence:
MPPADGTSQWLRKTVDSAAVILFSKTTCPYCKKVKDVLAEAKIKHATIELDQLSNGSAIQ
KCLASFSKIETVPQMFVRGKFIGDSQTVLKYYSNDELAGIVNESKYDYDLIVIGGGSGGL
AAGKEAAKYGAKTAVLDYVEPTPIGTTWGLGGTCVNVGCIPKKLMHQAGLLSHALEDAEH
FGWSLDRSKISHNWSTMVEGVQSHIGSLNWGYKVALRDNQVTYLNAKGRLISPHEVQITD
KNQKVSTITGNKIILATGERPKYPEIPGAVEYGITSDDLFSLPYFPGKTLVIGASYVALE
CAGFLASLGGDVTVMVRSILLRGFDQQMAEKVGDYMENHGVKFAKLCVPDEIKQLKVVDT
ENNKPGLLLVKGHYTDGKKFEEEFETVIFAVGREPQLSKVLCETVGVKLDKNGRVVCTDD
EQTTVSNVYAIGDINAGKPQLTPVAIQAGRYLARRLFAGATELTDYSNVATTVFTPLEYG
ACGLSEEDAIEKYGDKDIEVYHSNFKPLEWTVAHREDNVCYMKLVCRKSDNMRVLGLHVL
GPNAGEITQGYAVAIKMGATKADFDRTIGIHPTCSETFTTLHVTKKSGVSPIVSGCG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50049864
n/a
NameBDBM50049864
Synonyms:CHEMBL3322356
TypeSmall organic molecule
Emp. Form.C30H34N4O8S
Mol. Mass.610.678
SMILES[O-][n+]1onc(OCCCOc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)c1S(=O)(=O)c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: