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TargetSodium/potassium-transporting ATPase subunit alpha-4/beta-1
LigandBDBM50255111
Substrate/Competitorn/a
Meas. Tech.ChEBML_1686866
IC50 0.011±n/a nM
Citation Syeda, SSSánchez, GHong, KHHawkinson, JEGeorg, GIBlanco, 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
More Info.:Get all data from this article,  Assay Method
 
Sodium/potassium-transporting ATPase subunit alpha-4/beta-1
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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BDBM50255111
n/a
NameBDBM50255111
Synonyms:CHEMBL4092961
TypeSmall organic molecule
Emp. Form.C29H50O10
Mol. Mass.558.7013
SMILES[H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@@H](CO)CC[C@]45OCOC)OCOC)[C@@]13COC(C)(C)O2)OCOC |r|
Structure
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