Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50531529 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1920402 (CHEMBL4423247) |
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Ki | 5.4±n/a nM |
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Citation | Krasavin, M; Shetnev, A; Sharonova, T; Baykov, S; Kalinin, S; Nocentini, A; Sharoyko, V; Poli, G; Tuccinardi, T; Presnukhina, S; Tennikova, TB; Supuran, CT Continued exploration of 1,2,4-oxadiazole periphery for carbonic anhydrase-targeting primary arene sulfonamides: Discovery of subnanomolar inhibitors of membrane-bound hCA IX isoform that selectively kill cancer cells in hypoxic environment. Eur J Med Chem164:92-105 (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 |
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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BDBM50531529 |
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n/a |
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Name | BDBM50531529 |
Synonyms: | CHEMBL4515112 |
Type | Small organic molecule |
Emp. Form. | C13H11N3O4S2 |
Mol. Mass. | 337.374 |
SMILES | COc1cccc(c1)-c1noc(n1)-c1csc(c1)S(N)(=O)=O |
Structure |
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