Reaction Details |
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Target | Carbonic anhydrase 9 |
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Ligand | BDBM50004953 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_965224 (CHEMBL2394009) |
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IC50 | 342±n/a nM |
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Citation | Wang, L; Yang, C; Lu, W; Liu, L; Gao, R; Liao, S; Zhao, Z; Zhu, L; Xu, Y; Li, H; Huang, J; Zhu, W Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening. Bioorg Med Chem Lett23:3496-9 (2013) [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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BDBM50004953 |
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n/a |
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Name | BDBM50004953 |
Synonyms: | CHEMBL2392433 |
Type | Small organic molecule |
Emp. Form. | C15H18N2O4S |
Mol. Mass. | 322.379 |
SMILES | COc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1OC |
Structure |
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