| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM23418 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_1523540 |
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| Temperature | 298.15±n/a K |
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| Ki | >10000±n/a nM |
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| Comments | extracted |
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| Citation |  Karioti, A; Ceruso, M; Carta, F; Bilia, AR; Supuran, CT New natural product carbonic anhydrase inhibitors incorporating phenol moieties. Bioorg Med Chem23:7219-25 (2015) [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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| BDBM23418 |
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| n/a |
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| Name | BDBM23418 |
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| Synonyms: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one | Hesperetin | Hesperitin |
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| Type | flavanone |
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| Emp. Form. | C16H14O6 |
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| Mol. Mass. | 302.2788 |
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| SMILES | COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| |
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| Structure | 
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