Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50332023 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_687565 (CHEMBL1290837) |
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Ki | >100000±n/a nM |
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Citation | Maresca, A; Scozzafava, A; Supuran, CT 7,8-disubstituted- but not 6,7-disubstituted coumarins selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic ones I and II in the low nanomolar/subnanomolar range. Bioorg Med Chem Lett20:7255-8 (2010) [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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BDBM50332023 |
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n/a |
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Name | BDBM50332023 |
Synonyms: | 6-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one | CHEMBL1290110 |
Type | Small organic molecule |
Emp. Form. | C23H26O4 |
Mol. Mass. | 366.4501 |
SMILES | CC(=O)c1cc2ccc(=O)oc2cc1OCCC12CC3CC(CC(C3)C1)C2 |TLB:26:17:24:21.20.22,THB:26:21:17.18.25:24,22:21:18:25.23.24,22:23:18:26.21.20,16:17:24:21.20.22| |
Structure |
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