| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50504749 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1816574 (CHEMBL4316148) |
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| Ki | 825±n/a nM |
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| Citation |  Said, MA; Eldehna, WM; Nocentini, A; Bonardi, A; Fahim, SH; Bua, S; Soliman, DH; Abdel-Aziz, HA; Gratteri, P; Abou-Seri, SM; Supuran, CT Synthesis, biological and molecular dynamics investigations with a series of triazolopyrimidine/triazole-based benzenesulfonamides as novel carbonic anhydrase inhibitors. Eur J Med Chem185:0 (2020) [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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| BDBM50504749 |
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| n/a |
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| Name | BDBM50504749 |
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| Synonyms: | CHEMBL4461308 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H24N8O3S |
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| Mol. Mass. | 468.532 |
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| SMILES | Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1 |
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| Structure | 
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