| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 9 |
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| Ligand | BDBM50248708 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1679287 (CHEMBL4029564) |
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| IC50 | 60±n/a nM |
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| Citation |  Hou, Z; Lin, B; Bao, Y; Yan, HN; Zhang, M; Chang, XW; Zhang, XX; Wang, ZJ; Wei, GF; Cheng, MS; Liu, Y; Guo, C Dual-tail approach to discovery of novel carbonic anhydrase IX inhibitors by simultaneously matching the hydrophobic and hydrophilic halves of the active site. Eur J Med Chem132:1-10 (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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| BDBM50248708 |
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| n/a |
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| Name | BDBM50248708 |
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| Synonyms: | CHEMBL4090618 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H28N4O8S2 |
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| Mol. Mass. | 552.62 |
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| SMILES | COc1ccccc1\C=C\C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=S)Nc1ccc(cc1)S(N)(=O)=O |r| |
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| Structure | 
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