| Reaction Details |
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 | Report a problem with these data |
| Target | Thioredoxin glutathione reductase |
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| Ligand | BDBM50300749 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_589927 (CHEMBL1048278) |
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| IC50 | 3500±n/a nM |
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| 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 Chem52:6474-83 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Thioredoxin glutathione reductase |
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| Name: | Thioredoxin glutathione reductase |
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| Synonyms: | n/a |
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| Type: | PROTEIN |
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| Mol. Mass.: | 64881.48 |
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| Organism: | Schistosoma mansoni |
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| Description: | ChEMBL_1455608 |
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| Residue: | 597 |
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| Sequence: | MPPADGTSQWLRKTVDSAAVILFSKTTCPYCKKVKDVLAEAKIKHATIELDQLSNGSAIQ
KCLASFSKIETVPQMFVRGKFIGDSQTVLKYYSNDELAGIVNESKYDYDLIVIGGGSGGL
AAGKEAAKYGAKTAVLDYVEPTPIGTTWGLGGTCVNVGCIPKKLMHQAGLLSHALEDAEH
FGWSLDRSKISHNWSTMVEGVQSHIGSLNWGYKVALRDNQVTYLNAKGRLISPHEVQITD
KNQKVSTITGNKIILATGERPKYPEIPGAVEYGITSDDLFSLPYFPGKTLVIGASYVALE
CAGFLASLGGDVTVMVRSILLRGFDQQMAEKVGDYMENHGVKFAKLCVPDEIKQLKVVDT
ENNKPGLLLVKGHYTDGKKFEEEFETVIFAVGREPQLSKVLCETVGVKLDKNGRVVCTDD
EQTTVSNVYAIGDINAGKPQLTPVAIQAGRYLARRLFAGATELTDYSNVATTVFTPLEYG
ACGLSEEDAIEKYGDKDIEVYHSNFKPLEWTVAHREDNVCYMKLVCRKSDNMRVLGLHVL
GPNAGEITQGYAVAIKMGATKADFDRTIGIHPTCSETFTTLHVTKKSGVSPIVSGCG
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|
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| BDBM50300749 |
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| n/a |
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| Name | BDBM50300749 |
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| Synonyms: | 4-(3-chlorophenyl)-3-cyano-1,2,5-oxadiazole 2-oxide | CHEMBL570130 |
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| Type | Small organic molecule |
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| Emp. Form. | C9H4ClN3O2 |
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| Mol. Mass. | 221.6 |
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| SMILES | [O-][n+]1onc(c1C#N)-c1cccc(Cl)c1 |
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| Structure | 
|
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