| Reaction Details |
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 | Report a problem with these data |
| Target | Sodium/potassium-transporting ATPase subunit alpha-1 |
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| Ligand | BDBM50161246 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_304671 (CHEMBL827871) |
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| IC50 | >50000±n/a nM |
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| 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 Chem48:849-56 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sodium/potassium-transporting ATPase subunit alpha-1 |
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| Name: | Sodium/potassium-transporting ATPase subunit alpha-1 |
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| Synonyms: | AT1A1_PIG | ATP1A1 | Sodium/potassium-transporting ATPase alpha-1 chain |
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| Type: | PROTEIN |
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| Mol. Mass.: | 112664.46 |
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| Organism: | Sus scrofa |
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| Description: | ChEMBL_304671 |
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| Residue: | 1021 |
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| Sequence: | MGKGVGRDKYEPAAVSEHGDKKKAKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRG
LTPARAAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIQAATE
EEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINA
EEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNI
AFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFL
GVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLE
AVETLGSTSTICSDKTGTLTQNRMTVAHMWSDNQIHEADTTENQSGVSFDKTSATWLALS
RIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYTKIVEIPF
NSTNKYQLSIHKNPNTAEPRHLLVMKGAPERILDRCSSILIHGKEQPLDEELKDAFQNAY
LELGGLGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPLDNLCFVGLISMIDPPRAAVPDA
VGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDAKA
CVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDS
PASKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTS
NIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTD
KLVNEQLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVNWDDRWINDVEDSY
GQQWTYEQRKIVEFTCHTPFFVTIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEET
ALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETY
Y
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| BDBM50161246 |
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| n/a |
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| Name | BDBM50161246 |
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| Synonyms: | 11a-hydroxy-3a-hydroxymethyl-4''-imino-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-(1S,3aS,15aR)-spiro[perhydrocyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-11,2''-(tetrahydro[1,3]thiazolane)]-13-ylmethyl formate | CHEMBL360685 |
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| Type | Small organic molecule |
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| Emp. Form. | C39H50N2O9S |
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| Mol. Mass. | 722.887 |
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| SMILES | C[C@@H]1C[C@]2(SCC(N)=N2)C2(O)O[C@@H]3C[C@@]4(COC(=O)c5ccccc5)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:45| |
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| Structure | 
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