Reaction Details |
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Target | Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 |
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Ligand | BDBM50255109 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1686866 |
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IC50 | 0.002±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 |
Synonyms: | N+/K+ ATPase alpha-4/beta-1 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1686866 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Sodium/potassium-transporting ATPase subunit alpha-4 |
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 |
Type: | PROTEIN |
Mol. Mass.: | 113994.51 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_117736 |
Residue: | 1028 |
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 |
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 |
Type: | PROTEIN |
Mol. Mass.: | 35208.73 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_117735 |
Residue: | 304 |
Sequence: | MARGKAKEEGSWKKFIWNSEKKEFLGRTGGSWFKILLFYVIFYGCLAGIFIGTIQVMLLT
ISELKPTYQDRVAPPGLTQIPQIQKTEISFRPNDPKSYEAYVLNIIRFLEKYKDSAQKDD
MIFEDCGSMPSEPKERGEFNHERGERKVCRFKLDWLGNCSGLNDESYGYKEGKPCIIIKL
NRVLGFKPKPPKNESLETYPLTMKYNPNVLPVQCTGKRDEDKDKVGNIEYFGMGGFYGFP
LQYYPYYGKLLQPKYLQPLLAVQFTNLTLDTEIRIECKAYGENIGYSEKDRFQGRFDVKI
EVKS
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BDBM50255109 |
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n/a |
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Name | BDBM50255109 |
Synonyms: | CHEMBL4081196 |
Type | Small organic molecule |
Emp. Form. | C28H39N3O6 |
Mol. Mass. | 513.6258 |
SMILES | [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccccc2)nn1 |r| |
Structure |
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