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Target
Thioredoxin glutathione reductase
Ligand
BDBM50300739
Substrate
n/a
Meas. Tech.
ChEMBL_589927 (CHEMBL1048278)
IC50
11200±n/a nM
Citation
 Rai, G; Sayed, AA; Lea, WA; Luecke, HF; Chakrapani, H; Prast-Nielsen, S; Jadhav, A; Leister, W; Shen, M; Inglese, J; Austin, CP; Keefer, L; Arnér, ES; Simeonov, A; Maloney, DJ; Williams, DL; Thomas, CJ Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem 52:6474-83 (2009) [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:
BDBM50300739
Synonyms:
3-cyano-4-p-tolyl-1,2,5-oxadiazole 2-oxide | CHEMBL574801
Type:
Small organic molecule
Emp. Form.:
C10H7N3O2
Mol. Mass.:
201.1815
SMILES:
Cc1ccc(cc1)-c1no[n+]([O-])c1C#N
Structure:
Search PDB for entries with ligand similarity: