Reaction Details |
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Target | Thioredoxin reductase |
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Ligand | BDBM50435855 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_963748 (CHEMBL2395747) |
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IC50 | 30000±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 |
Synonyms: | MT4032 | TR | TRXB_MYCTU | trxB | trxB2 | trxR |
Type: | PROTEIN |
Mol. Mass.: | 35636.06 |
Organism: | Mycobacterium tuberculosis |
Description: | ChEMBL_107604 |
Residue: | 335 |
Sequence: | MTAPPVHDRAHHPVRDVIVIGSGPAGYTAALYAARAQLAPLVFEGTSFGGALMTTTDVEN
YPGFRNGITGPELMDEMREQALRFGADLRMEDVESVSLHGPLKSVVTADGQTHRARAVIL
AMGAAARYLQVPGEQELLGRGVSSCATCDGFFFRDQDIAVIGGGDSAMEEATFLTRFARS
VTLVHRRDEFRASKIMLDRARNNDKIRFLTNHTVVAVDGDTTVTGLRVRDTNTGAETTLP
VTGVFVAIGHEPRSGLVREAIDVDPDGYVLVQGRTTSTSLPGVFAAGDLVDRTYRQAVTA
AGSGCAAAIDAERWLAEHAATGEADSTDALIGAQR
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BDBM50435855 |
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n/a |
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Name | BDBM50435855 |
Synonyms: | CHEMBL2393581 |
Type | Small organic molecule |
Emp. Form. | C20H19N3O2 |
Mol. Mass. | 333.3838 |
SMILES | OC(=O)[C@H](Cc1cc2ccccc2[nH]1)NCc1c[nH]c2ccccc12 |r| |
Structure |
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