Reaction Details |
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Target | Carbonic anhydrase 9 |
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Ligand | BDBM12936 |
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Substrate/Competitor | BDBM10856 |
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Meas. Tech. | CA Inhibition Assay |
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Ki | 125±n/a nM |
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Citation | Wilkinson, BL; Bornaghi, LF; Houston, TA; Innocenti, A; Supuran, CT; Poulsen, SA A novel class of carbonic anhydrase inhibitors: glycoconjugate benzene sulfonamides prepared by "click-tailing". J Med Chem49:6539-48 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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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BDBM12936 |
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BDBM10856 |
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Name | BDBM12936 |
Synonyms: | 4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4-tri-O-acetyl-beta-D-glucuronic acid methyl ester)-1H-1,2,3-triazole | CHEMBL216214 | Glycoconjugate Benzene Sulfonamide 3e | methyl (2S,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(4-{[(4-sulfamoylphenyl)carbonyloxy]methyl}-1H-1,2,3-triazol-1-yl)oxane-2-carboxylate |
Type | Small organic molecule |
Emp. Form. | C23H26N4O13S |
Mol. Mass. | 598.537 |
SMILES | COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 |
Structure |
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