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Target
Thioredoxin glutathione reductase
Ligand
BDBM47478
Substrate
n/a
Meas. Tech.
ChEMBL_2103008 (CHEMBL4811511)
IC50
60±n/a nM
Citation
 Dziwornu, GA; Attram, HD; Gachuhi, S; Chibale, K Chemotherapy for human schistosomiasis: how far have we come? What's new? Where do we go from here? RSC Med Chem 11:455-490 (2020) [PubMed]  Article 
Target
Name:
Thioredoxin glutathione reductase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
64881.48
Organism:
Schistosoma mansoni
Description:
ChEMBL_1455608
Residue:
597
Sequence:
MPPADGTSQWLRKTVDSAAVILFSKTTCPYCKKVKDVLAEAKIKHATIELDQLSNGSAIQKCLASFSKIETVPQMFVRGKFIGDSQTVLKYYSNDELAGIVNESKYDYDLIVIGGGSGGLAAGKEAAKYGAKTAVLDYVEPTPIGTTWGLGGTCVNVGCIPKKLMHQAGLLSHALEDAEHFGWSLDRSKISHNWSTMVEGVQSHIGSLNWGYKVALRDNQVTYLNAKGRLISPHEVQITDKNQKVSTITGNKIILATGERPKYPEIPGAVEYGITSDDLFSLPYFPGKTLVIGASYVALECAGFLASLGGDVTVMVRSILLRGFDQQMAEKVGDYMENHGVKFAKLCVPDEIKQLKVVDTENNKPGLLLVKGHYTDGKKFEEEFETVIFAVGREPQLSKVLCETVGVKLDKNGRVVCTDDEQTTVSNVYAIGDINAGKPQLTPVAIQAGRYLARRLFAGATELTDYSNVATTVFTPLEYGACGLSEEDAIEKYGDKDIEVYHSNFKPLEWTVAHREDNVCYMKLVCRKSDNMRVLGLHVLGPNAGEITQGYAVAIKMGATKADFDRTIGIHPTCSETFTTLHVTKKSGVSPIVSGCG
  
Inhibitor
Name:
BDBM47478
Synonyms:
2-(4-chlorophenyl)sulfonyl-6-methoxy-3-nitro-pyridine | 2-(4-chlorophenyl)sulfonyl-6-methoxy-3-nitropyridine | 2-[(4-chlorophenyl)sulfonyl]-6-methoxy-3-nitropyridine | MLS000851064 | SMR000457307 | cid_2801235
Type:
Small organic molecule
Emp. Form.:
C12H9ClN2O5S
Mol. Mass.:
328.728
SMILES:
COc1ccc(c(n1)S(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
Structure:
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