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Target
Sodium/potassium-transporting ATPase subunit alpha-1/beta-1
Ligand
BDBM231662
Substrate
n/a
Meas. Tech.
Na,K-ATPase Inhibition Assay
Ki
199±33 nM
Citation
 Katz, A; Tal, DM; Heller, D; Haviv, H; Rabah, B; Barkana, Y; Marcovich, AL; Karlish, SJ Digoxin derivatives with enhanced selectivity for the a2 isoform of Na,K-ATPase: effects on intraocular pressure in rabbits. J Biol Chem 289:21153-62 (2014) [PubMed]  Article 
Target
Name:
Sodium/potassium-transporting ATPase subunit alpha-1/beta-1
Synonyms:
Na,K-ATPase α1β1 | Na,K-ATPase alpha1beta1 | alpha1beta1FXYD1
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Sodium/potassium-transporting ATPase subunit alpha-1
Synonyms:
AT1A1_HUMAN | ATP1A1 | Na(+)/K(+) ATPase alpha-1 subunit | Na,K-ATPase isoform alpha-1 (α1) | Sodium pump subunit alpha-1 | Sodium/potassium-transporting ATPase subunit alpha-1
Type:
Enzyme
Mol. Mass.:
112879.20
Organism:
Homo sapiens (Human)
Description:
P05023
Residue:
1023
Sequence:
MGKGVGRDKYEPAAVSEQGDKKGKKGKKDRDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTSARAAEILARDGPNALTPPPTTPEWIKFCRQLFGGFSMLLWIGAILCFLAYSIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGVSFDKTSATWLALSRIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYAKIVEIPFNSTNKYQLSIHKNPNTSEPQHLLVMKGAPERILDRCSSILLHGKEQPLDEELKDAFQNAYLELGGLGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPIDNLCFVGLISMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDAKACVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNERLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVDWDDRWINDVEDSYGQQWTYEQRKIVEFTCHTAFFVSIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEETALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETYY
  
Component 2
Name:
Sodium/potassium-transporting ATPase subunit beta-1
Synonyms:
AT1B1_HUMAN | ATP1B | ATP1B1 | Na,K-ATPase isoform beta-1 (β1)
Type:
Enzyme
Mol. Mass.:
35067.44
Organism:
Homo sapiens (Human)
Description:
P05026
Residue:
303
Sequence:
MARGKAKEEGSWKKFIWNSEKKEFLGRTGGSWFKILLFYVIFYGCLAGIFIGTIQVMLLTISEFKPTYQDRVAPPGLTQIPQIQKTEISFRPNDPKSYEAYVLNIVRFLEKYKDSAQRDDMIFEDCGDVPSEPKERGDFNHERGERKVCRFKLEWLGNCSGLNDETYGYKEGKPCIIIKLNRVLGFKPKPPKNESLETYPVMKYNPNVLPVQCTGKRDEDKDKVGNVEYFGLGNSPGFPLQYYPYYGKLLQPKYLQPLLAVQFTNLTMDTEIRIECKAYGENIGYSEKDRFQGRFDVKIEVKS
  
Inhibitor
Name:
BDBM231662
Synonyms:
DMeCF3 (13) | US10668094, Compound DCF3
Type:
Small organic molecule
Emp. Form.:
C43H66F3NO12
Mol. Mass.:
845.9788
SMILES:
C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC(F)(F)F)CC(C)O2)[C@H](C)O1)O[C@H]1CC[C@@]2(C)C(CCC3C2C[C@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 |r,t:58|
Structure:
Search PDB for entries with ligand similarity: