Reaction Details |
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Target | Sodium/potassium-transporting ATPase subunit alpha-1 |
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Ligand | BDBM50096257 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1506103 (CHEMBL3595969) |
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IC50 | 11000±n/a nM |
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Citation | Alves, SL; Paixão, N; Ferreira, LG; Santos, FR; Neves, LD; Oliveira, GC; Cortes, VF; Salomé, KS; Barison, A; Santos, FV; Cenzi, G; Varotti, FP; Oliveira, SM; Taranto, AG; Comar, M; Silva, LM; Noël, F; Quintas, LE; Barbosa, LA; Villar, JA ¿-Benzylidene digoxin derivatives synthesis and molecular modeling: Evaluation of anticancer and the Na,K-ATPase activity effect. Bioorg Med Chem23:4397-404 (2015) [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 |
Synonyms: | AT1A1_HUMAN | ATP1A1 | Na(+)/K(+) ATPase alpha-1 subunit | Na,K-ATPase isoform alpha-1 (α1) | Sodium pump subunit alpha-1 | Sodium/potassium-transporting ATPase subunit alpha-1 |
Type: | Enzyme |
Mol. Mass.: | 112879.20 |
Organism: | Homo sapiens (Human) |
Description: | P05023 |
Residue: | 1023 |
Sequence: | MGKGVGRDKYEPAAVSEQGDKKGKKGKKDRDMDELKKEVSMDDHKLSLDELHRKYGTDLS
RGLTSARAAEILARDGPNALTPPPTTPEWIKFCRQLFGGFSMLLWIGAILCFLAYSIQAA
TEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSI
NAEEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETR
NIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAV
FLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKN
LEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGVSFDKTSATWLA
LSRIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYAKIVEI
PFNSTNKYQLSIHKNPNTSEPQHLLVMKGAPERILDRCSSILLHGKEQPLDEELKDAFQN
AYLELGGLGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPIDNLCFVGLISMIDPPRAAVP
DAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDA
KACVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVN
DSPALKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTL
TSNIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPK
TDKLVNERLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVDWDDRWINDVED
SYGQQWTYEQRKIVEFTCHTAFFVSIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFE
ETALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKE
TYY
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BDBM50096257 |
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n/a |
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Name | BDBM50096257 |
Synonyms: | CHEMBL3594280 |
Type | Small organic molecule |
Emp. Form. | C48H67NO16 |
Mol. Mass. | 914.0427 |
SMILES | [H][C@@]1(C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)O\C2=C/c2cccc(c2)[N+]([O-])=O)C1 |r,t:60| |
Structure |
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