| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 9 |
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| Ligand | BDBM50387136 |
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| Substrate/Competitor | n/a |
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| Ki | 21±n/a nM |
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| Citation |  Sethi, KK; Verma, SM A systematic quantitative approach to rational drug design and discovery of novel human carbonic anhydrase IX inhibitors. J Enzyme Inhib Med Chem29:571-81 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article |
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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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| BDBM50387136 |
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| n/a |
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| Name | BDBM50387136 |
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| Synonyms: | 4-ureidophenyl sulfamate ring derivative 3u | CHEMBL2047816 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H23N3O4S |
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| Mol. Mass. | 365.447 |
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| SMILES | NS(=O)(=O)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13| |
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| Structure | 
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