Reaction Details |
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Target | Carbonic anhydrase 9 |
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Ligand | BDBM13066 |
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Substrate/Competitor | BDBM10856 |
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Meas. Tech. | hCA IX Enzyme Inhibition Assay |
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pH | 7.5±n/a |
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Temperature | 293.15±n/a K |
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IC50 | >100000±n/a nM |
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Citation | Weber, A; Casini, A; Heine, A; Kuhn, D; Supuran, CT; Scozzafava, A; Klebe, G Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J Med Chem47:550-7 (2004) [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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BDBM13066 |
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BDBM10856 |
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Name | BDBM13066 |
Synonyms: | 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid | CHEMBL139 | Diclofenac | US11337935, Compound Diclofenac | US11478464, Compound Diclofenac | US11786535, Compound Diclofenac | {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid |
Type | Small organic molecule |
Emp. Form. | C14H11Cl2NO2 |
Mol. Mass. | 296.149 |
SMILES | OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl |
Structure |
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