Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50230195 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1644695 (CHEMBL3993624) |
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Ki | >100±n/a nM |
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Citation | Bua, S; Di Cesare Mannelli, L; Vullo, D; Ghelardini, C; Bartolucci, G; Scozzafava, A; Supuran, CT; Carta, F Design and Synthesis of Novel Nonsteroidal Anti-Inflammatory Drugs and Carbonic Anhydrase Inhibitors Hybrids (NSAIDs-CAIs) for the Treatment of Rheumatoid Arthritis. J Med Chem60:1159-1170 (2017) [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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BDBM50230195 |
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n/a |
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Name | BDBM50230195 |
Synonyms: | CHEMBL4100903 |
Type | Small organic molecule |
Emp. Form. | C24H27NO4 |
Mol. Mass. | 393.4755 |
SMILES | CC(C)Cc1ccc(cc1)C(C)C(=O)NCCOc1ccc2oc(=O)ccc2c1 |
Structure |
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