| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Thioredoxin reductase |
|---|
| Ligand | BDBM50435849 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_963748 (CHEMBL2395747) |
|---|
| IC50 | 15300±n/a nM |
|---|
| 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 |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Thioredoxin reductase |
|---|
| 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
|
|
|
|---|
| BDBM50435849 |
|---|
| n/a |
|---|
| Name | BDBM50435849 |
|---|
| Synonyms: | CHEMBL2391046 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C18H20ClFN2 |
|---|
| Mol. Mass. | 318.816 |
|---|
| SMILES | Fc1cccc(Cl)c1CNc1ccc(cc1)N1CCCCC1 |
|---|
| Structure | 
|
|---|
Search and Browse
