| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50517085 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1867315 (CHEMBL4368290) |
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| Ki | 0.630000±n/a nM |
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| Citation |  Bozdag, M; Ferraroni, M; Ward, C; Carta, F; Bua, S; Angeli, A; Langdon, SP; Kunkler, IH; Al-Tamimi, AS; Supuran, CT Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells. Eur J Med Chem182:0 (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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| BDBM50517085 |
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| n/a |
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| Name | BDBM50517085 |
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| Synonyms: | CHEMBL4545711 |
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| Type | Small organic molecule |
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| Emp. Form. | C10H7ClF3N5O3S2 |
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| Mol. Mass. | 401.772 |
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| SMILES | NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 |
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| Structure | 
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