| 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 | BDBM50096255 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1506103 (CHEMBL3595969) |
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| IC50 | 340±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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 112879.20 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05023 |
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| Residue: | 1023 |
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| Sequence: | MGKGVGRDKYEPAAVSEQGDKKGKKGKKDRDMDELKKEVSMDDHKLSLDELHRKYGTDLS
RGLTSARAAEILARDGPNALTPPPTTPEWIKFCRQLFGGFSMLLWIGAILCFLAYSIQAA
TEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSI
NAEEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETR
NIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAV
FLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKN
LEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGVSFDKTSATWLA
LSRIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYAKIVEI
PFNSTNKYQLSIHKNPNTSEPQHLLVMKGAPERILDRCSSILLHGKEQPLDEELKDAFQN
AYLELGGLGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPIDNLCFVGLISMIDPPRAAVP
DAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDA
KACVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVN
DSPALKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTL
TSNIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPK
TDKLVNERLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVDWDDRWINDVED
SYGQQWTYEQRKIVEFTCHTAFFVSIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFE
ETALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKE
TYY
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| BDBM50096255 |
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| n/a |
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| Name | BDBM50096255 |
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| Synonyms: | CHEMBL3594278 |
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| Type | Small organic molecule |
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| Emp. Form. | C48H67FO14 |
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| Mol. Mass. | 887.0356 |
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| 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/c2ccc(F)cc2)C1 |r,t:60| |
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| Structure | 
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