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Target
Thioredoxin glutathione reductase
Ligand
BDBM35361
Substrate
n/a
Meas. Tech.
ChEMBL_589927 (CHEMBL1048278)
IC50
40±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:
BDBM35361
Synonyms:
(5-oxidanidyl-4-thiophen-2-ylcarbonyl-1,2,5-oxadiazol-5-ium-3-yl)-thiophen-2-yl-methanone | MLS000079823 | SMR000034137 | [5-oxido-4-(2-thenoyl)furazan-5-ium-3-yl]-(2-thienyl)methanone | [5-oxido-4-(thiophene-2-carbonyl)-1,2,5-oxadiazol-5-ium-3-yl]-thiophen-2-ylmethanone | [5-oxido-4-[oxo(thiophen-2-yl)methyl]-1,2,5-oxadiazol-5-ium-3-yl]-thiophen-2-ylmethanone | cid_573747
Type:
Small organic molecule
Emp. Form.:
C12H6N2O4S2
Mol. Mass.:
306.317
SMILES:
[O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1
Structure:
Search PDB for entries with ligand similarity: