| Reaction Details |
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 | Report a problem with these data |
| Target | Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 |
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| Ligand | BDBM46355 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_1686866 |
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| IC50 | 5.5±n/a nM |
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| Citation |  Syeda, SS; Sánchez, G; Hong, KH; Hawkinson, JE; Georg, GI; Blanco, G Design, Synthesis, and in Vitro and in Vivo Evaluation of Ouabain Analogues as Potent and Selective Na,K-ATPase?4 Isoform Inhibitors for Male Contraception. J Med Chem61:1800-1820 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 |
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| Name: | Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 |
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| Synonyms: | N+/K+ ATPase alpha-4/beta-1 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1686866 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Sodium/potassium-transporting ATPase subunit alpha-4 |
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| Synonyms: | 3.6.3.9 | AT1A4_RAT | Atp1a4 | Atp1al2 | N+/K+ ATPase alpha-4/beta-3 | Na(+)/K(+) ATPase alpha-4 subunit | Sodium pump subunit alpha-4 | Sodium/potassium-transporting ATPase subunit alpha-4 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 113994.51 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_117736 |
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| Residue: | 1028 |
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| Sequence: | MEPGKETAATSEQKPRPTLRASNTNRQPKVKRRKKDLEELKKEVVMDDHKLTLDELSAKY
SVDLTKGLSVTDAQEILTLNGPNVLTPPPTTPEWIKFCKQLFGGFSLLLWTGSLLCFLAY
GIHVSYYQENANKDNLYLGIVLSAVVIITGCFSYYQEAKSSKIMESFKTMVPQQALVIRD
GEKMQINVRDVVLGDLVEVKGGDQVPADIRVIAAQGCKVDNSSLTGESEPQSRCPDCTHE
NPLETRNIIFFSTNCVEGTARGVVIATGDHTVMGRIASLTSGLTMGKTPIATEIEHFIHI
ITAVAVFLGVTFFFLSLILGYTWLDAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARK
NCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHLWFDKTVYEADTSEEQTTGKTFPK
SSDTWFYLARIAGLCNRADFKPHQESLPITKRTTTGDASESALLKFIEQSYSPVSEMRQK
NPKVAEIPFNSTNKYQMSIHLLEDNSEAHVLLMKGAPERILDFCSSFLLNGQEYPMDEEM
KTDFQNAYIELGGLGERVLGFCFLNLPSNFSKGFQFNTEELNFPMENLCFAGLISMIDPP
RTAVPDAVSKCRSAGIKVIMVTGDHPITAKAIAKSVGIISEANETAEDIAARLNISISQV
SNKSIKAIVVHGSELKDMDSGQLDNILKSYKEIVFARTSPQQKLIIVEGCQRLGAIVAVT
GDGVNDSPALKKADIGIAMGITGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKS
IAYTLTSNIPEITPFLLFIVLSIPLPLGTITILCIDLGTDMVPAISLAYETPESDIMKRL
PRNPKTDNLVNDRLIGMAYGQIGMIQALAGFFTYFVILAENGFKPLDLLGIRLYWDDTNL
NDLEDTYGQQWTYEQRKVVEFTCQTAFFISIVIVQWADLIICKTRRNSLFKQGMKNKVLI
FGLLEETILAACLSYIPGMDVALRMYPLKINWWFCALPYSVLIFIYDEVRKLIIRRRPGG
WLEKETYY
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| Component 2 |
| Name: | Sodium/potassium-transporting ATPase subunit beta-1 |
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| Synonyms: | AT1B1_RAT | Atp1b1 | N+/K+ ATPase alpha-4/beta-1 | Sodium/potassium-dependent ATPase subunit beta-1 | Sodium/potassium-transporting ATPase subunit beta-1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 35208.73 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_117735 |
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| Residue: | 304 |
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| Sequence: | MARGKAKEEGSWKKFIWNSEKKEFLGRTGGSWFKILLFYVIFYGCLAGIFIGTIQVMLLT
ISELKPTYQDRVAPPGLTQIPQIQKTEISFRPNDPKSYEAYVLNIIRFLEKYKDSAQKDD
MIFEDCGSMPSEPKERGEFNHERGERKVCRFKLDWLGNCSGLNDESYGYKEGKPCIIIKL
NRVLGFKPKPPKNESLETYPLTMKYNPNVLPVQCTGKRDEDKDKVGNIEYFGMGGFYGFP
LQYYPYYGKLLQPKYLQPLLAVQFTNLTLDTEIRIECKAYGENIGYSEKDRFQGRFDVKI
EVKS
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| BDBM46355 |
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| n/a |
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| Name | BDBM46355 |
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| Synonyms: | DIGOXIN | MLS000069819 | SMR000059217 | US10668094, Compound Digoxin | cid_2724385 |
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| Type | Small organic molecule |
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| Emp. Form. | C41H64O14 |
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| Mol. Mass. | 780.9385 |
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| 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| |
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| Structure | 
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