| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 9 |
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| Ligand | BDBM50230199 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1644699 (CHEMBL3993628) |
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| Ki | 28±n/a nM |
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| Citation |  Bua, S; Di Cesare Mannelli, L; Vullo, D; Ghelardini, C; Bartolucci, G; Scozzafava, A; Supuran, CT; Carta, F Design and Synthesis of Novel Nonsteroidal Anti-Inflammatory Drugs and Carbonic Anhydrase Inhibitors Hybrids (NSAIDs-CAIs) for the Treatment of Rheumatoid Arthritis. J Med Chem60:1159-1170 (2017) [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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| BDBM50230199 |
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| n/a |
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| Name | BDBM50230199 |
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| Synonyms: | CHEMBL4076291 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H26FNO5S |
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| Mol. Mass. | 543.605 |
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| SMILES | C[S+]([O-])c1ccc(\C=C2\C(C)=C(CC(=O)NCCOc3ccc4ccc(=O)oc4c3)c3cc(F)ccc23)cc1 |t:10| |
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| Structure | 
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