Reaction Details |
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Target | Carbonic anhydrase 9 |
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Ligand | BDBM50299582 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_736561 (CHEMBL1692290) |
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Ki | 4220±n/a nM |
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Citation | Lopez, M; Trajkovic, J; Bornaghi, LF; Innocenti, A; Vullo, D; Supuran, CT; Poulsen, SA Design, synthesis, and biological evaluation of novel carbohydrate-based sulfamates as carbonic anhydrase inhibitors. J Med Chem54:1481-9 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Carbonic anhydrase 9 |
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Name: | Carbonic anhydrase 9 |
Synonyms: | CA-IX | CA9 | CAH9_HUMAN | Carbonate dehydratase IX | Carbonic anhydrase 9 (CA IX) | Carbonic anhydrase 9 (CAIX) | Carbonic anhydrase 9 precursor | Carbonic anhydrase IX (CA IX) | Carbonic anhydrase IX (CAIX) | Carbonic anhydrases IX | Carbonic anhydrases; II & IX | G250 | MN | Membrane antigen MN | RCC-associated antigen G250 |
Type: | Enzyme |
Mol. Mass.: | 49669.03 |
Organism: | Homo sapiens (Human) |
Description: | Catalytic domain of human cloned isozyme was used in the assay |
Residue: | 459 |
Sequence: | MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPL
GEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPG
DPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPL
ELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHT
VEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIA
EEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLS
DTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVF
GLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
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BDBM50299582 |
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n/a |
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Name | BDBM50299582 |
Synonyms: | (2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2-sulfonamide | CHEMBL569168 |
Type | Small organic molecule |
Emp. Form. | C12H23NO12S |
Mol. Mass. | 405.376 |
SMILES | NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| |
Structure |
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