Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50022092 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1367455 (CHEMBL3300908) |
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Ki | 32±n/a nM |
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Citation | Ghorab, MM; Alsaid, MS; Ceruso, M; Nissan, YM; Supuran, CT Carbonic anhydrase inhibitors: Synthesis, molecular docking, cytotoxic and inhibition of the human carbonic anhydrase isoforms I, II, IX, XII with novel benzenesulfonamides incorporating pyrrole, pyrrolopyrimidine and fused pyrrolopyrimidine moieties. Bioorg Med Chem22:3684-95 (2014) [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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BDBM50022092 |
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n/a |
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Name | BDBM50022092 |
Synonyms: | CHEMBL3298346 |
Type | Small organic molecule |
Emp. Form. | C21H14BrN7O2S |
Mol. Mass. | 508.351 |
SMILES | Nc1nn2cnc3n(cc(-c4ccc(Br)cc4)c3c2c1C#N)-c1ccc(cc1)S(N)(=O)=O |
Structure |
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