Reaction Details |
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Target | Carbonic anhydrase 9 |
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Ligand | BDBM12918 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_625072 (CHEMBL1112521) |
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Ki | 430±n/a nM |
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Citation | Lopez, M; Bornaghi, LF; Innocenti, A; Vullo, D; Charman, SA; Supuran, CT; Poulsen, SA Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem53:2913-26 (2010) [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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BDBM12918 |
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n/a |
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Name | BDBM12918 |
Synonyms: | 4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-1H-1,2,3-triazole | CHEMBL387076 | Glycoconjugate Benzene Sulfonamide 2a | [(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(4-{[(4-sulfamoylphenyl)formamido]methyl}-1H-1,2,3-triazol-1-yl)oxan-2-yl]methyl acetate |
Type | Small organic molecule |
Emp. Form. | C24H29N5O12S |
Mol. Mass. | 611.578 |
SMILES | CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 |
Structure |
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