Reaction Details Report a problem with these data
Target
Sodium/potassium-transporting ATPase subunit alpha-2/beta-3
Ligand
BDBM444977
Substrate
n/a
Meas. Tech.
Selective Inhibition Assays of Isolated Na,K-ATPase
Ki
5.80±0.6 nM
Citation
 Karlish, SJ; Katz, A; Tal, DM; Marcovich, A Selective inhibitors of Alpha2-containing isoforms of Na,K-ATPase and use thereof for reduction of intraocular pressure US Patent  US10668094 Publication Date 6/2/2020 
Target
Name:
Sodium/potassium-transporting ATPase subunit alpha-2/beta-3
Synonyms:
Na,K-ATPase alpha2beta3
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Sodium/potassium-transporting ATPase subunit alpha-2
Synonyms:
AT1A2_HUMAN | ATP1A2 | KIAA0778 | Na,K-ATPase isoform alpha-2 (α2)
Type:
Enzyme
Mol. Mass.:
112253.12
Organism:
Homo sapiens (Human)
Description:
P50993
Residue:
1020
Sequence:
MGRGAGREYSPAATTAENGGGKKKQKEKELDELKKEVAMDDHKLSLDELGRKYQVDLSKGLTNQRAQDVLARDGPNALTPPPTTPEWVKFCRQLFGGFSILLWIGAILCFLAYGIQAAMEDEPSNDNLYLGVVLAAVVIVTGCFSYYQEAKSSKIMDSFKNMVPQQALVIREGEKMQINAEEVVVGDLVEVKGGDRVPADLRIISSHGCKVDNSSLTGESEPQTRSPEFTHENPLETRNICFFSTNCVEGTARGIVIATGDRTVMGRIATLASGLEVGRTPIAMEIEHFIQLITGVAVFLGVSFFVLSLILGYSWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTEDQSGATFDKRSPTWTALSRIAGLCNRAVFKAGQENISVSKRDTAGDASESALLKCIELSCGSVRKMRDRNPKVAEIPFNSTNKYQLSIHEREDSPQSHVLVMKGAPERILDRCSTILVQGKEIPLDKEMQDAFQNAYMELGGLGERVLGFCQLNLPSGKFPRGFKFDTDELNFPTEKLCFVGLMSMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPMSQVNPREAKACVVHGSDLKDMTSEQLDEILKNHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGIAMGISGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLLFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEAAESDIMKRQPRNSQTDKLVNERLISMAYGQIGMIQALGGFFTYFVILAENGFLPSRLLGIRLDWDDRTMNDLEDSYGQEWTYEQRKVVEFTCHTAFFASIVVVQWADLIICKTRRNSVFQQGMKNKILIFGLLEETALAAFLSYCPGMGVALRMYPLKVTWWFCAFPYSLLIFIYDEVRKLILRRYPGGWVEKETYY
  
Component 2
Name:
Sodium/potassium-transporting ATPase subunit beta-3
Synonyms:
AT1B3_HUMAN | ATP1B3 | ATPB-3 | Sodium/potassium-dependent ATPase subunit beta-3
Type:
Protein
Mol. Mass.:
31517.26
Organism:
Human
Description:
P54709
Residue:
279
Sequence:
MTKNEKKSLNQSLAEWKLFIYNPTTGEFLGRTAKSWGLILLFYLVFYGFLAALFSFTMWVMLQTLNDEVPKYRDQIPSPGLMVFPKPVTALEYTFSRSDPTSYAGYIEDLKKFLKPYTLEEQKNLTVCPDGALFEQKGPVYVACQFPISLLQACSGMNDPDFGYSQGNPCILVKMNRIIGLKPEGVPRIDCVSKNEDIPNVAVYPHNGMIDLKYFPYYGKKLHVGYLQPLVAVQVSFAPNNTGKEVTVECKIDGSANLKSQDDRDKFLGRVMFKITARA
  
Inhibitor
Name:
BDBM444977
Synonyms:
US10668094, Compound DiB
Type:
Small organic molecule
Emp. Form.:
C45H73NO12
Mol. Mass.:
820.0606
SMILES:
CCC(C)N1CCC(O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)C(CCC6C5C[C@H](O)[C@]5(C)[C@H](CC[C@]65O)C5=CC(=O)OC5)C4)O[C@H]3C)O[C@H]2C)OC(C)C1 |r,t:44|
Structure:
Search PDB for entries with ligand similarity: