Reaction Details |
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Target | Carbonic anhydrase 9 |
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Ligand | BDBM50165764 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_302321 (CHEMBL828908) |
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Ki | 5±n/a nM |
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Citation | Puccetti, L; Fasolis, G; Cecchi, A; Winum, JY; Gamberi, A; Montero, JL; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating thioureido-sulfanilyl scaffolds. Bioorg Med Chem Lett15:2359-64 (2005) [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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BDBM50165764 |
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n/a |
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Name | BDBM50165764 |
Synonyms: | 4-{4-[2-(4-methylhexahydro-1-pyrazinyl)ethylamino(thioxo)methylamino]phenylsulfonamidomethyl}-1-benzenesulfonamide | CHEMBL195194 |
Type | Small organic molecule |
Emp. Form. | C21H30N6O4S3 |
Mol. Mass. | 526.696 |
SMILES | CN1CCN(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)CC1 |
Structure |
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