| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 9 |
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| Ligand | BDBM50544885 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1993967 (CHEMBL4627862) |
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| Ki | 230±n/a nM |
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| Citation |  Abdel-Mohsen, HT; El Kerdawy, AM; Omar, MA; Berrino, E; Abdelsamie, AS; El Diwani, HI; Supuran, CT New thiopyrimidine-benzenesulfonamide conjugates as selective carbonic anhydrase II inhibitors: synthesis, in vitro biological evaluation, and molecular docking studies. Bioorg Med Chem28:0 (2020) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 49669.03 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Catalytic domain of human cloned isozyme was used in the assay |
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| Residue: | 459 |
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| Sequence: | MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPL
GEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPG
DPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPL
ELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHT
VEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIA
EEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLS
DTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVF
GLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
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| BDBM50544885 |
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| n/a |
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| Name | BDBM50544885 |
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| Synonyms: | CHEMBL4636758 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H20N4O3S2 |
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| Mol. Mass. | 476.571 |
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| SMILES | NS(=O)(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)cc1 |
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| Structure | 
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