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TargetSodium/potassium-transporting ATPase subunit alpha-4/beta-3
LigandBDBM50286739
Substrate/Competitorn/a
Meas. Tech.ChEBML_1686867
IC50 1.8±n/a nM
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
More Info.:Get all data from this article,  Assay Method
 
Sodium/potassium-transporting ATPase subunit alpha-4/beta-3
Name:Sodium/potassium-transporting ATPase subunit alpha-4/beta-3
Synonyms:N+/K+ ATPase alpha-4/beta-3
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1686867
Components:This complex has 2 components.
Component 1
Name:Sodium/potassium-transporting ATPase subunit beta-3
Synonyms:AT1B3_RAT | ATPB-3 | Atp1b3 | CD_antigen=CD298 | Sodium/potassium-dependent ATPase subunit beta-3 | Sodium/potassium-transporting ATPase subunit beta-3
Type:PROTEIN
Mol. Mass.:31833.84
Organism:Rattus norvegicus
Description:ChEMBL_117736
Residue:279
Sequence:
MTKTEKKSFHQSLAEWKLFIYNPTSGEFLGRTSKSWGLILLFYLVFYGFLAALFTFTMWV
MLQTLNDEVPKYRDQIPSPGLMVFPKPPTALDYTYSMSDPHTYKKFVEDLKNFLKPYSVE
EQKNLTDCPGGALFHQEGPDYSACQFPVSLLQECSGVNDSNFGYSKGQPCVLVKMNRIIE
LVPDGAPYITCITKEENIANIVTYPDDGLIDLKYFPYYGKKRHVGYRQPLVAVQVIFGAD
ATKKEVTIECQIDGTRNLKNKNERDKFLGRVSFKVIAHA
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Component 2
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 3
Name:Sodium/potassium-transporting ATPase subunit beta-3
Synonyms:AT1B3_RAT | ATPB-3 | Atp1b3 | CD_antigen=CD298 | Sodium/potassium-dependent ATPase subunit beta-3 | Sodium/potassium-transporting ATPase subunit beta-3
Type:PROTEIN
Mol. Mass.:31833.84
Organism:Rattus norvegicus
Description:ChEMBL_117736
Residue:279
Sequence:
MTKTEKKSFHQSLAEWKLFIYNPTSGEFLGRTSKSWGLILLFYLVFYGFLAALFTFTMWV
MLQTLNDEVPKYRDQIPSPGLMVFPKPPTALDYTYSMSDPHTYKKFVEDLKNFLKPYSVE
EQKNLTDCPGGALFHQEGPDYSACQFPVSLLQECSGVNDSNFGYSKGQPCVLVKMNRIIE
LVPDGAPYITCITKEENIANIVTYPDDGLIDLKYFPYYGKKRHVGYRQPLVAVQVIFGAD
ATKKEVTIECQIDGTRNLKNKNERDKFLGRVSFKVIAHA
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BDBM50286739
n/a
NameBDBM50286739
Synonyms:4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one | 4-((1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one | 4-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one | 4-[(R)-1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one | 4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one | 4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one(Ouabain) | CHEMBL222863 | NSC-25485 | Ouabain | Ouabain4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one | cid_439501
TypeSmall organic molecule
Emp. Form.C29H44O12
Mol. Mass.584.6525
SMILESC[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |r,t:33|
Structure
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