| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50004945 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_960001 (CHEMBL2384054) |
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| Ki | 81±n/a nM |
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| Citation |  Carta, F; Akdemir, A; Scozzafava, A; Masini, E; Supuran, CT Xanthates and trithiocarbonates strongly inhibit carbonic anhydrases and show antiglaucoma effects in vivo. J Med Chem56:4691-700 (2013) [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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| BDBM50004945 |
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| n/a |
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| Name | BDBM50004945 |
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| Synonyms: | CHEMBL2380752 |
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| Type | Small organic molecule |
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| Emp. Form. | C12H17KOS2 |
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| Mol. Mass. | 280.491 |
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| SMILES | [K+].[S-]C(=S)OCC12CC3CC(CC(C3)C1)C2 |TLB:9:10:8.13.7:14,THB:9:8:10.11.15:14,11:10:7:13.12.14,11:12:9.10.15:7| |
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| Structure | 
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