| Reaction Details |
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 | Report a problem with these data |
| Target | Thioredoxin reductase |
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| Ligand | BDBM50435856 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_963748 (CHEMBL2395747) |
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| IC50 | 100000±n/a nM |
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| Citation |  Koch, O; Jäger, T; Heller, K; Khandavalli, PC; Pretzel, J; Becker, K; Flohé, L; Selzer, PM Identification of M. tuberculosis thioredoxin reductase inhibitors based on high-throughput docking using constraints. J Med Chem56:4849-59 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Thioredoxin reductase |
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| Name: | Thioredoxin reductase |
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| Synonyms: | MT4032 | TR | TRXB_MYCTU | trxB | trxB2 | trxR |
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| Type: | PROTEIN |
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| Mol. Mass.: | 35636.06 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | ChEMBL_107604 |
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| Residue: | 335 |
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| Sequence: | MTAPPVHDRAHHPVRDVIVIGSGPAGYTAALYAARAQLAPLVFEGTSFGGALMTTTDVEN
YPGFRNGITGPELMDEMREQALRFGADLRMEDVESVSLHGPLKSVVTADGQTHRARAVIL
AMGAAARYLQVPGEQELLGRGVSSCATCDGFFFRDQDIAVIGGGDSAMEEATFLTRFARS
VTLVHRRDEFRASKIMLDRARNNDKIRFLTNHTVVAVDGDTTVTGLRVRDTNTGAETTLP
VTGVFVAIGHEPRSGLVREAIDVDPDGYVLVQGRTTSTSLPGVFAAGDLVDRTYRQAVTA
AGSGCAAAIDAERWLAEHAATGEADSTDALIGAQR
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| BDBM50435856 |
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| n/a |
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| Name | BDBM50435856 |
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| Synonyms: | CHEMBL2393580 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H35N3OS |
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| Mol. Mass. | 425.63 |
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| SMILES | CSCCNC1CCN(CC1)c1ccc(NC(=O)CCCCc2ccccc2)cc1 |
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| Structure | 
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