| Reaction Details |
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 | Report a problem with these data |
| Target | Sodium/potassium-transporting ATPase subunit alpha-2/beta-3 |
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| Ligand | BDBM444976 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Selective Inhibition Assays of Isolated Na,K-ATPase |
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| Ki | 24.7±2.1 nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Sodium/potassium-transporting ATPase subunit alpha-2/beta-3 |
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| Name: | Sodium/potassium-transporting ATPase subunit alpha-2/beta-3 |
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| Synonyms: | Na,K-ATPase alpha2beta3 |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Sodium/potassium-transporting ATPase subunit alpha-2 |
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| Synonyms: | AT1A2_HUMAN | ATP1A2 | KIAA0778 | Na,K-ATPase isoform alpha-2 (α2) |
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| Type: | Enzyme |
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| Mol. Mass.: | 112253.12 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P50993 |
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| Residue: | 1020 |
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| Sequence: | MGRGAGREYSPAATTAENGGGKKKQKEKELDELKKEVAMDDHKLSLDELGRKYQVDLSKG
LTNQRAQDVLARDGPNALTPPPTTPEWVKFCRQLFGGFSILLWIGAILCFLAYGIQAAME
DEPSNDNLYLGVVLAAVVIVTGCFSYYQEAKSSKIMDSFKNMVPQQALVIREGEKMQINA
EEVVVGDLVEVKGGDRVPADLRIISSHGCKVDNSSLTGESEPQTRSPEFTHENPLETRNI
CFFSTNCVEGTARGIVIATGDRTVMGRIATLASGLEVGRTPIAMEIEHFIQLITGVAVFL
GVSFFVLSLILGYSWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLE
AVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTEDQSGATFDKRSPTWTALS
RIAGLCNRAVFKAGQENISVSKRDTAGDASESALLKCIELSCGSVRKMRDRNPKVAEIPF
NSTNKYQLSIHEREDSPQSHVLVMKGAPERILDRCSTILVQGKEIPLDKEMQDAFQNAYM
ELGGLGERVLGFCQLNLPSGKFPRGFKFDTDELNFPTEKLCFVGLMSMIDPPRAAVPDAV
GKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPMSQVNPREAKAC
VVHGSDLKDMTSEQLDEILKNHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSP
ALKKADIGIAMGISGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSN
IPEITPFLLFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEAAESDIMKRQPRNSQTDK
LVNERLISMAYGQIGMIQALGGFFTYFVILAENGFLPSRLLGIRLDWDDRTMNDLEDSYG
QEWTYEQRKVVEFTCHTAFFASIVVVQWADLIICKTRRNSVFQQGMKNKILIFGLLEETA
LAAFLSYCPGMGVALRMYPLKVTWWFCAFPYSLLIFIYDEVRKLILRRYPGGWVEKETYY
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| Component 2 |
| Name: | Sodium/potassium-transporting ATPase subunit beta-3 |
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| Synonyms: | AT1B3_HUMAN | ATP1B3 | ATPB-3 | Sodium/potassium-dependent ATPase subunit beta-3 |
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| Type: | Protein |
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| Mol. Mass.: | 31517.26 |
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| Organism: | Human |
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| Description: | P54709 |
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| Residue: | 279 |
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| Sequence: | MTKNEKKSLNQSLAEWKLFIYNPTTGEFLGRTAKSWGLILLFYLVFYGFLAALFSFTMWV
MLQTLNDEVPKYRDQIPSPGLMVFPKPVTALEYTFSRSDPTSYAGYIEDLKKFLKPYTLE
EQKNLTVCPDGALFEQKGPVYVACQFPISLLQACSGMNDPDFGYSQGNPCILVKMNRIIG
LKPEGVPRIDCVSKNEDIPNVAVYPHNGMIDLKYFPYYGKKLHVGYLQPLVAVQVSFAPN
NTGKEVTVECKIDGSANLKSQDDRDKFLGRVMFKITARA
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| BDBM444976 |
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| n/a |
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| Name | BDBM444976 |
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| Synonyms: | US10668094, Compound DESM-(sulfonyl) |
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| Type | Small organic molecule |
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| Emp. Form. | C44H71NO14S |
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| Mol. Mass. | 870.098 |
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| SMILES | C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CCS(C)(=O)=O)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:59| |
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| Structure | 
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