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Target
Sodium/potassium-transporting ATPase subunit alpha-1
Ligand
BDBM50161249
Substrate
n/a
Meas. Tech.
ChEMBL_304671 (CHEMBL827871)
IC50
68±n/a nM
Citation
 Van Quaquebeke, E; Simon, G; André, A; Dewelle, J; El Yazidi, M; Bruyneel, F; Tuti, J; Nacoulma, O; Guissou, P; Decaestecker, C; Braekman, JC; Kiss, R; Darro, F Identification of a novel cardenolide (2''-oxovoruscharin) from Calotropis procera and the hemisynthesis of novel derivatives displaying potent in vitro antitumor activities and high in vivo tolerance: structure-activity relationship analyses. J Med Chem 48:849-56 (2005) [PubMed]  Article 
Target
Name:
Sodium/potassium-transporting ATPase subunit alpha-1
Synonyms:
AT1A1_PIG | ATP1A1 | Sodium/potassium-transporting ATPase alpha-1 chain
Type:
PROTEIN
Mol. Mass.:
112664.46
Organism:
Sus scrofa
Description:
ChEMBL_304671
Residue:
1021
Sequence:
MGKGVGRDKYEPAAVSEHGDKKKAKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTPARAAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWSDNQIHEADTTENQSGVSFDKTSATWLALSRIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYTKIVEIPFNSTNKYQLSIHKNPNTAEPRHLLVMKGAPERILDRCSSILIHGKEQPLDEELKDAFQNAYLELGGLGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPLDNLCFVGLISMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDAKACVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPASKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNEQLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVNWDDRWINDVEDSYGQQWTYEQRKIVEFTCHTPFFVTIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEETALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETYY
  
Inhibitor
Name:
BDBM50161249
Synonyms:
3a,11a-dihydroxy-4''-imino-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)spiro[perhydrocyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-11,2''-(tetrahydro[1,3]thiazolane)]-13a-carbaldehyde | CHEMBL175806
Type:
Small organic molecule
Emp. Form.:
C31H42N2O8S
Mol. Mass.:
602.739
SMILES:
C[C@@H]1C[C@]2(SCC(N)=N2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:35|
Structure:
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