Reaction Details |
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Target | Carbonic anhydrase 9 |
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Ligand | BDBM50520833 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1882315 (CHEMBL4383814) |
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Ki | 9.7±n/a nM |
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Citation | Eldehna, WM; Abo-Ashour, MF; Nocentini, A; El-Haggar, RS; Bua, S; Bonardi, A; Al-Rashood, ST; Hassan, GS; Gratteri, P; Abdel-Aziz, HA; Supuran, CT Enhancement of the tail hydrophobic interactions within the carbonic anhydrase IX active site via structural extension: Design and synthesis of novel N-substituted isatins-SLC-0111 hybrids as carbonic anhydrase inhibitors and antitumor agents. Eur J Med Chem162:147-160 (2019) [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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BDBM50520833 |
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n/a |
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Name | BDBM50520833 |
Synonyms: | CHEMBL4569077 |
Type | Small organic molecule |
Emp. Form. | C29H22N6O4S |
Mol. Mass. | 550.588 |
SMILES | NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)N(Cc3ccc(cc3)C#N)c3ccccc23)cc1 |
Structure |
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