| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-carbonic anhydrase 1 |
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| Ligand | BDBM50216277 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_736723 (CHEMBL1695104) |
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| Ki | 820±n/a nM |
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| Citation |  Davis, RA; Hofmann, A; Osman, A; Hall, RA; Mühlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases. J Med Chem54:1682-92 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-carbonic anhydrase 1 |
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| Name: | Beta-carbonic anhydrase 1 |
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| Synonyms: | β-Carbonic anhydrase 1 (CA 1) | Carbonic Anhydrase (mtCA 1) | MTCA1_MYCTU | Uncharacterized protein Rv1284/MT1322 | canA | mtcA1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 18186.06 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | The recombinant GST-mtCA1 construct was cloned, expressed, and further purified from E. coli. The purified protein was used in inhibition assays. |
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| Residue: | 163 |
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| Sequence: | MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAG
CVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESY
PDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP
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| BDBM50216277 |
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| n/a |
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| Name | BDBM50216277 |
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| Synonyms: | 4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-diyl)bis(2-methoxyphenol) | 8-beta,8'-alpha-dimethyl-7-alpha,7'-beta-bis(3-methoxy-4-hydroxy-phenyl)cyclobutane | CHEMBL228274 | endiandrin A |
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| Type | Small organic molecule |
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| Emp. Form. | C20H24O4 |
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| Mol. Mass. | 328.4022 |
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| SMILES | COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r| |
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| Structure | 
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