Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50288194 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1729833 (CHEMBL4145111) |
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Ki | 6.9±n/a nM |
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Citation | Nocentini, A; Ceruso, M; Bua, S; Lomelino, CL; Andring, JT; McKenna, R; Lanzi, C; Sgambellone, S; Pecori, R; Matucci, R; Filippi, L; Gratteri, P; Carta, F; Masini, E; Selleri, S; Supuran, CT Discovery of ?-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. J Med Chem61:5380-5394 (2018) [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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BDBM50288194 |
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n/a |
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Name | BDBM50288194 |
Synonyms: | CHEMBL4175397 |
Type | Small organic molecule |
Emp. Form. | C22H30ClN3O6S |
Mol. Mass. | 500.008 |
SMILES | Cl.NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OCC(O)CN3CCOCC3)cc2)cc1 |
Structure |
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