Reaction Details |
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Target | Sodium/potassium-transporting ATPase subunit alpha-1 |
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Ligand | BDBM46355 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_144088 (CHEMBL750866) |
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IC50 | 500±n/a nM |
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Citation | Cerri, A; Almirante, N; Barassi, P; Benicchio, A; Fedrizzi, G; Ferrari, P; Micheletti, R; Quadri, L; Ragg, E; Rossi, R; Santagostino, M; Schiavone, A; Serra, F; Zappavigna, MP; Melloni, P 17beta-O-Aminoalkyloximes of 5beta-androstane-3beta,14beta-diol with digitalis-like activity: synthesis, cardiotonic activity, structure-activity relationships, and molecular modeling of the Na(+),K(+)-ATPase receptor. J Med Chem43:2332-49 (2000) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Sodium/potassium-transporting ATPase subunit alpha-1 |
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Name: | Sodium/potassium-transporting ATPase subunit alpha-1 |
Synonyms: | AT1A1_CANLF | ATP1A1 | Sodium/potassium-transporting ATPase alpha-1 chain |
Type: | PROTEIN |
Mol. Mass.: | 112656.60 |
Organism: | Canis familiaris |
Description: | ChEMBL_144092 |
Residue: | 1021 |
Sequence: | MGKGVGRDKYEPAAVSEHGDKKKAKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRG
LTTARAAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIQAATE
EEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINA
EEVVIGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNI
AFFSTNCVKGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFL
GVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLE
AVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGVSFDKSSATWLALS
RIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRDRYAKIVEIPF
NSTNKYQLSIHKNPNTSEPRHLLVMKGAPERILDRCSSILLHGKEQPLDEELKDALQNAY
LELGGLGERVLGFRHLFLPDEQFPEGFQFDTDDVNFPVENLCFVGFISMIGPPRAAVPDA
VGKCRGAGIKVIMVTGDHPITAKAIAKGAGIISEGNETVEDIAARLNIPVRQVNPRDAKA
CVVHGSDLKDMTSEQLDGILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDS
PALKKADIGVAMGIVGSDASKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTS
NIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTD
KLVNERLISMAYGQIGMIQALGGFFTYFVILAENGFLPTHLLGLRVDWDDRWINDVEDSY
GQQWTYEQRKIVEFTCHTAFFVSIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEET
ALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETY
Y
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BDBM46355 |
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n/a |
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Name | BDBM46355 |
Synonyms: | DIGOXIN | MLS000069819 | SMR000059217 | US10668094, Compound Digoxin | cid_2724385 |
Type | Small organic molecule |
Emp. Form. | C41H64O14 |
Mol. Mass. | 780.9385 |
SMILES | C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46| |
Structure |
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