| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Beta-carbonic anhydrase 1 |
|---|
| Ligand | BDBM50399075 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_878777 (CHEMBL2183717) |
|---|
| Ki | 115±n/a nM |
|---|
| Citation |  Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Tricyclic sulfonamides incorporating benzothiopyrano[4,3-c]pyrazole and pyridothiopyrano[4,3-c]pyrazole effectively inhibita- andß-carbonic anhydrase: X-ray crystallography and solution investigations on 15 isoforms. J Med Chem55:9619-29 (2012) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Beta-carbonic anhydrase 1 |
|---|
| Name: | Beta-carbonic anhydrase 1 |
|---|
| Synonyms: | β-Carbonic anhydrase 1 (CA 1) | Carbonic Anhydrase (mtCA 1) | MTCA1_MYCTU | Uncharacterized protein Rv1284/MT1322 | canA | mtcA1 |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 18186.06 |
|---|
| Organism: | Mycobacterium tuberculosis |
|---|
| Description: | The recombinant GST-mtCA1 construct was cloned, expressed, and further purified from E. coli. The purified protein was used in inhibition assays. |
|---|
| Residue: | 163 |
|---|
| Sequence: | MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAG
CVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESY
PDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP
|
|
|
|---|
| BDBM50399075 |
|---|
| n/a |
|---|
| Name | BDBM50399075 |
|---|
| Synonyms: | CHEMBL2179304 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C16H14N4O2S2 |
|---|
| Mol. Mass. | 358.438 |
|---|
| SMILES | Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O |
|---|
| Structure | 
|
|---|
Search and Browse
