| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50502613 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1808122 (CHEMBL4307481) |
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| Ki | 2446±n/a nM |
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| Citation |  Larcher, A; Nocentini, A; Supuran, CT; Winum, JY; van der Lee, A; Vasseur, JJ; Laurencin, D; Smietana, M Bis-benzoxaboroles: Design, Synthesis, and Biological Evaluation as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett10:1205-1210 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Carbonic anhydrase 1 |
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| Name: | Carbonic anhydrase 1 |
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| Synonyms: | CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA |
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| Type: | Enzyme |
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| Mol. Mass.: | 28873.37 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00915 |
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| Residue: | 261 |
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| Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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| BDBM50502613 |
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| n/a |
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| Name | BDBM50502613 |
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| Synonyms: | CHEMBL4542829 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H20B2N2O6 |
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| Mol. Mass. | 406.005 |
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| SMILES | OB1OCc2ccc(NC(=O)C\C=C\CC(=O)Nc3ccc4COB(O)c4c3)cc12 |
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| Structure | 
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