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Target
Potassium-transporting ATPase alpha chain 2
Ligand
BDBM50131823
Substrate
n/a
Meas. Tech.
ChEMBL_144106 (CHEMBL751510)
IC50
>100000±n/a nM
Citation
 De Munari, S; Cerri, A; Gobbini, M; Almirante, N; Banfi, L; Carzana, G; Ferrari, P; Marazzi, G; Micheletti, R; Schiavone, A; Sputore, S; Torri, M; Zappavigna, MP; Melloni, P Structure-based design and synthesis of novel potent Na+,K+ -ATPase inhibitors derived from a 5alpha,14alpha-androstane scaffold as positive inotropic compounds. J Med Chem 46:3644-54 (2003) [PubMed]  Article 
Target
Name:
Potassium-transporting ATPase alpha chain 2
Synonyms:
AT12A_HUMAN | ATP12A | ATP1AL1
Type:
PROTEIN
Mol. Mass.:
115509.17
Organism:
Homo sapiens (Human)
Description:
ChEMBL_144101
Residue:
1039
Sequence:
MHQKTPEIYSVELSGTKDIVKTDKGDGKEKYRGLKNNCLELKKKNHKEEFQKELHLDDHKLSNRELEEKYGTDIIMGLSSTRAAELLARDGPNSLTPPKQTPEIVKFLKQMVGGFSILLWVGAFLCWIAYGIQYSSDKSASLNNVYLGCVLGLVVILTGIFAYYQEAKSTNIMSSFNKMIPQQALVIRDSEKKTIPSEQLVVGDIVEVKGGDQIPADIRVLSSQGCRVDNSSLTGESEPQPRSSEFTHENPLETKNICFYSTTCLEGTVTGMVINTGDRTIIGHIASLASGVGNEKTPIAIEIEHFVHIVAGVAVSIGILFFIIAVSLKYQVLDSIIFLIGIIVANVPEGLLATVTVTLSLTAKRMAKKNCLVKNLEAVETLGSTSIICSDKTGTLTQNRMTVAHLWFDNQIFVADTSEDHSNQVFDQSSRTWASLSKIITLCNRAEFKPGQENVPIMKKAVIGDASETALLKFSEVILGDVMEIRKRNRKVAEIPFNSTNKFQLSIHEMDDPHGKRFLMVMKGAPERILEKCSTIMINGEEHPLDKSTAKTFHTAYMELGGLGERVLGFCHLYLPADEFPETYSFDIDAMNFPTSNLCFVGLLSMIDPPRSTVPDAVTKCRSAGIKVIMVTGDHPITAKAIAKSVGIISANSETVEDIAHRLNIAVEQVNKRDAKAAVVTGMELKDMSSEQLDEILANYQEIVFARTSPQQKLIIVEGCQRQDAVVAVTGDGVNDSPALKKADIGIAMGIAGSDAAKNAADMVLLDDNFASIVTGVEEGRLIFDNLKKTIAYSLTKNIAELCPFLIYIIVGLPLPIGTITILFIDLGTDIIPSIALAYEKAESDIMNRKPRHKNKDRLVNQPLAVYSYLHIGLMQALGAFLVYFTVYAQEGFLPRTLINLRVEWEKDYVNDLKDSYGQEWTRYQREYLEWTGYTAFFVGILVQQIADLIIRKTRRNSIFQQGLFRNKVIWVGITSQIIIGLILSYGLGSVTALSFTMLRAQYWFVAVPHAILIWVYDEVRKLFIRLYPGSWWDKNMYY
  
Inhibitor
Name:
BDBM50131823
Synonyms:
(E,Z)6,17-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one O-(2-dimethylamino-ethyl)-oxime | CHEMBL122949
Type:
Small organic molecule
Emp. Form.:
C23H40N2O3
Mol. Mass.:
392.5753
SMILES:
CN(C)CCO\N=C1/CC[C@]2(C)C3CC[C@]4(C)C(O)CC[C@H]4C3C[C@@H](O)[C@H]2C1
Structure:
Search PDB for entries with ligand similarity: