Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50414251 |
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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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 28873.37 |
Organism: | Homo sapiens (Human) |
Description: | P00915 |
Residue: | 261 |
Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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BDBM50414251 |
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n/a |
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Name | BDBM50414251 |
Synonyms: | SALVIANOLIC ACID B |
Type | Small organic molecule |
Emp. Form. | C36H32O16 |
Mol. Mass. | 720.6297 |
SMILES | OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1 |
Structure |
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