Reaction Details
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Sodium/potassium-transporting ATPase subunit alpha-1
Ligand
BDBM50408118
Substrate
n/a
Meas. Tech.
ChEMBL_54059 (CHEMBL669632)
IC50
3220±n/a nM
Citation
Templeton, JF; Ling, Y; Marat, K; LaBella, FS Synthesis and structure-activity relationships of 17beta-substituted 14beta-hydroxysteroid 3-(alpha-L-rhamnopyranoside)s: steroids that bind to the digitalis receptor. J Med Chem 40:1439-46 (1997) [PubMed] Article More Info.:
Target
Name:
Sodium/potassium-transporting ATPase subunit alpha-1
Synonyms:
AT1A1_CANLF | ATP1A1 | Sodium/potassium-transporting ATPase alpha-1 chain
Type:
PROTEIN
Mol. Mass.:
112656.60
Organism:
Canis familiaris
Description:
ChEMBL_144092
Residue:
1021
Sequence:
MGKGVGRDKYEPAAVSEHGDKKKAKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTTARAAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVIGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNIAFFSTNCVKGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGVSFDKSSATWLALSRIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRDRYAKIVEIPFNSTNKYQLSIHKNPNTSEPRHLLVMKGAPERILDRCSSILLHGKEQPLDEELKDALQNAYLELGGLGERVLGFRHLFLPDEQFPEGFQFDTDDVNFPVENLCFVGFISMIGPPRAAVPDAVGKCRGAGIKVIMVTGDHPITAKAIAKGAGIISEGNETVEDIAARLNIPVRQVNPRDAKACVVHGSDLKDMTSEQLDGILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGIVGSDASKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNERLISMAYGQIGMIQALGGFFTYFVILAENGFLPTHLLGLRVDWDDRWINDVEDSYGQQWTYEQRKIVEFTCHTAFFVSIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEETALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETYY
Inhibitor
Name:
BDBM50408118
Synonyms:
CHEMBL2069074
Type:
Small organic molecule
Emp. Form.:
C27H47NO7
Mol. Mass.:
497.6646
SMILES:
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C(O)CN)C2)[C@H](O)[C@H](O)[C@H]1O |r|
Structure:
