| Reaction Details |
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 | Report a problem with these data |
| Target | Thioredoxin glutathione reductase |
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| Ligand | BDBM47913 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1924119 (CHEMBL4427075) |
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| IC50 | 7080±n/a nM |
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| Citation |  Neves, BJ; Dantas, RF; Senger, MR; Melo-Filho, CC; Valente, WC; de Almeida, AC; Rezende-Neto, JM; Lima, EF; Paveley, R; Furnham, N; Muratov, E; Kamentsky, L; Carpenter, AE; Braga, RC; Silva-Junior, FP; Andrade, CH Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening. J Med Chem59:7075-88 (2016) [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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| BDBM47913 |
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| n/a |
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| Name | BDBM47913 |
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| Synonyms: | MLS001030320 | N-(4-nitro-1,2,5-oxadiazol-3-yl)-2-(2-pyridinylthio)acetamide | N-(4-nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanyl-ethanamide | N-(4-nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamide | N-(4-nitrofurazan-3-yl)-2-(2-pyridylthio)acetamide | SMR000635635 | cid_4917203 |
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| Type | Small organic molecule |
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| Emp. Form. | C9H7N5O4S |
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| Mol. Mass. | 281.248 |
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| SMILES | [O-][N+](=O)c1nonc1NC(=O)CSc1ccccn1 |
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| Structure | 
|
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