Reaction Details |
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Target | Carbonic anhydrase 9 |
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Ligand | BDBM50153964 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_495459 (CHEMBL1005301) |
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Ki | 0.34±n/a nM |
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Citation | Thiry, A; Ledecq, M; Cecchi, A; Frederick, R; Dogné, JM; Supuran, CT; Wouters, J; Masereel, B Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors. Bioorg Med Chem17:553-7 (2009) [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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BDBM50153964 |
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n/a |
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Name | BDBM50153964 |
Synonyms: | 4-((4,6-diethoxy-1,3,5-triazin-2-ylamino)methyl)benzenesulfonamide | 4-[(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-methyl]-benzenesulfonamide | CHEMBL183945 |
Type | Small organic molecule |
Emp. Form. | C14H19N5O4S |
Mol. Mass. | 353.397 |
SMILES | CCOc1nc(NCc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1 |
Structure |
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