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Target
Potassium-transporting ATPase alpha chain 2
Ligand
BDBM50066032
Substrate
n/a
Meas. Tech.
ChEMBL_144101 (CHEMBL751505)
IC50
100±n/a nM
Citation
 De Munari, S; Barassi, P; Cerri, A; Fedrizzi, G; Gobbini, M; Mabilia, M; Melloni, P A new approach to the design of novel inhibitors of Na+,K+-ATPase: 17alpha-substituted seco-D 5beta-androstane as cassaine analogues. J Med Chem 41:3033-40 (1998) [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:
BDBM50066032
Synonyms:
CHEMBL323301 | [(1R,4bR,7S,8aR)-7-Hydroxy-1,4b,8,8-tetramethyl-10-oxo-dodecahydro-phenanthren-(2E)-ylidene]-acetic acid 2-dimethylamino-ethyl ester
Type:
Small organic molecule
Emp. Form.:
C24H39NO4
Mol. Mass.:
405.5708
SMILES:
C[C@@H]1C2C(CC\C1=C/C(=O)OCCN(C)C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O
Structure:
Search PDB for entries with ligand similarity: