Ki Summary

Reaction Details

Report a problem with these data

Target

Sodium/potassium-transporting ATPase subunit alpha-1

Ligand

BDBM50161252

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_304671 (CHEMBL827871)

IC50

50000±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 Chem48:849-56 (2005) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Sodium/potassium-transporting ATPase subunit alpha-1

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:

MGKGVGRDKYEPAAVSEHGDKKKAKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRG
LTPARAAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIQAATE
EEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINA
EEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNI
AFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFL
GVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLE
AVETLGSTSTICSDKTGTLTQNRMTVAHMWSDNQIHEADTTENQSGVSFDKTSATWLALS
RIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYTKIVEIPF
NSTNKYQLSIHKNPNTAEPRHLLVMKGAPERILDRCSSILIHGKEQPLDEELKDAFQNAY
LELGGLGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPLDNLCFVGLISMIDPPRAAVPDA
VGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDAKA
CVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDS
PASKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTS
NIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTD
KLVNEQLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVNWDDRWINDVEDSY
GQQWTYEQRKIVEFTCHTPFFVTIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEET
ALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETY
Y

BDBM50161252

n/a

Name

BDBM50161252

Synonyms:

CHEMBL427124 | Uscharin derivative

Type

Small organic molecule

Emp. Form.

C38H60N2O8SSi2

Mol. Mass.

761.128

SMILES

C[C@@H]1C[C@]2(SCC(N)=N2)C2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54CO[Si](C)(C)C)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1 |c:7,t:44|

Structure