| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50344555 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_748113 (CHEMBL1781743) |
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| Ki | 137±n/a nM |
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| Citation |  Mincione, F; Benedini, F; Biondi, S; Cecchi, A; Temperini, C; Formicola, G; Pacileo, I; Scozzafava, A; Masini, E; Supuran, CT Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action. Bioorg Med Chem Lett21:3216-21 (2011) [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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| BDBM50344555 |
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| n/a |
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| Name | BDBM50344555 |
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| Synonyms: | 2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-enyl)phenyl 3-(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl)benzoate | CHEMBL1778434 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H23N5O12S3 |
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| Mol. Mass. | 657.65 |
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| SMILES | COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O |
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| Structure | 
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