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Target
Thioredoxin glutathione reductase
Ligand
BDBM50049867
Substrate
n/a
Meas. Tech.
ChEMBL_1455608 (CHEMBL3365309)
IC50
350±n/a nM
Citation
 Guglielmo, S; Cortese, D; Vottero, F; Rolando, B; Kommer, VP; Williams, DL; Fruttero, R; Gasco, A New praziquantel derivatives containing NO-donor furoxans and related furazans as active agents against Schistosoma mansoni. Eur J Med Chem 84:135-45 (2014) [PubMed]  Article 
Target
Name:
Thioredoxin glutathione reductase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
64881.48
Organism:
Blood fluke
Description:
ChEMBL_1455608
Residue:
597
Sequence:
MPPADGTSQWLRKTVDSAAVILFSKTTCPYCKKVKDVLAEAKIKHATIELDQLSNGSAIQKCLASFSKIETVPQMFVRGKFIGDSQTVLKYYSNDELAGIVNESKYDYDLIVIGGGSGGLAAGKEAAKYGAKTAVLDYVEPTPIGTTWGLGGTCVNVGCIPKKLMHQAGLLSHALEDAEHFGWSLDRSKISHNWSTMVEGVQSHIGSLNWGYKVALRDNQVTYLNAKGRLISPHEVQITDKNQKVSTITGNKIILATGERPKYPEIPGAVEYGITSDDLFSLPYFPGKTLVIGASYVALECAGFLASLGGDVTVMVRSILLRGFDQQMAEKVGDYMENHGVKFAKLCVPDEIKQLKVVDTENNKPGLLLVKGHYTDGKKFEEEFETVIFAVGREPQLSKVLCETVGVKLDKNGRVVCTDDEQTTVSNVYAIGDINAGKPQLTPVAIQAGRYLARRLFAGATELTDYSNVATTVFTPLEYGACGLSEEDAIEKYGDKDIEVYHSNFKPLEWTVAHREDNVCYMKLVCRKSDNMRVLGLHVLGPNAGEITQGYAVAIKMGATKADFDRTIGIHPTCSETFTTLHVTKKSGVSPIVSGCG
  
Inhibitor
Name:
BDBM50049867
Synonyms:
CHEMBL3322293
Type:
Small organic molecule
Emp. Form.:
C23H25N5O5
Mol. Mass.:
451.4751
SMILES:
[O-][n+]1onc(COc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)c1C#N
Structure:
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