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TargetSodium/potassium-transporting ATPase subunit alpha-1/beta-1
LigandBDBM50255111
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1686862 (CHEMBL4037341)
IC50>100000±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-1/beta-1
Name:Sodium/potassium-transporting ATPase subunit alpha-1/beta-1
Synonyms:Na+/K+ ATPase alpha-1/beta-1
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1686862
Components:This complex has 2 components.
Component 1
Name:Sodium/potassium-transporting ATPase subunit alpha-1
Synonyms:AT1A1_RAT | ATPase (Na+, K+) | Atp1a1 | Na+/K+ ATPase alpha-1/beta-1 | Sodium/potassium-transporting ATPase subunit alpha-1
Type:Enzyme Catalytic Domain
Mol. Mass.:113035.86
Organism:RAT
Description:P06685
Residue:1023
Sequence:
MGKGVGRDKYEPAAVSEHGDKKSKKAKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLS
RGLTPARAAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIRSA
TEEEPPNDDLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSI
NAEDVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETR
NIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAEEIEHFIHLITGVAV
FLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKN
LEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGVSFDKTSATWFA
LSRIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIEVCCGSVMEMREKYTKIVEI
PFNSTNKYQLSIHKNPNASEPKHLLVMKGAPERILDRCSSILLHGKEQPLDEELKDAFQN
AYLELGGLGERVLGFCHLLLPDEQFPEGFQFDTDEVNFPVDNLCFVGLISMIDPPRAAVP
DAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVNQVNPRDA
KACVVHGSDLKDMTSEELDDILRYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVN
DSPALKKADIGVAMGIVGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTL
TSNIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPK
TDKLVNERLISMAYGQIGMIQALGGFFTYFVILAENGFLPFHLLGIRETWDDRWINDVED
SYGQQWTYEQRKIVEFTCHTAFFVSIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFE
ETALAAFLSYCPGMGAALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKE
TYY
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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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  Blast E-value cutoff:
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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