| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 9 |
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| Ligand | BDBM50022096 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1367457 (CHEMBL3300910) |
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| Ki | 2.6±n/a nM |
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| Citation |  Ghorab, MM; Alsaid, MS; Ceruso, M; Nissan, YM; Supuran, CT Carbonic anhydrase inhibitors: Synthesis, molecular docking, cytotoxic and inhibition of the human carbonic anhydrase isoforms I, II, IX, XII with novel benzenesulfonamides incorporating pyrrole, pyrrolopyrimidine and fused pyrrolopyrimidine moieties. Bioorg Med Chem22:3684-95 (2014) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 49669.03 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Catalytic domain of human cloned isozyme was used in the assay |
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| Residue: | 459 |
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| Sequence: | MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPL
GEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPG
DPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPL
ELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHT
VEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIA
EEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLS
DTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVF
GLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
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| BDBM50022096 |
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| n/a |
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| Name | BDBM50022096 |
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| Synonyms: | CHEMBL3298350 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H17BrN6O5S |
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| Mol. Mass. | 557.377 |
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| SMILES | CCOC(=O)n1n2cnc3n(cc(-c4ccc(Br)cc4)c3c2nc1=O)-c1ccc(cc1)S(N)(=O)=O |
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| Structure | 
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