Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50548314
Substrate
n/a
Meas. Tech.
ChEMBL_2021496 (CHEMBL4675309)
Ki
13±n/a nM
Citation
 Spetea, M; Rief, SB; Haddou, TB; Fink, M; Kristeva, E; Mittendorfer, H; Haas, S; Hummer, N; Follia, V; Guerrieri, E; Asim, MF; Sturm, S; Schmidhammer, H Synthesis, Biological, and Structural Explorations of New Zwitterionic Derivatives of 14- O-Methyloxymorphone, as Potent ?/? Opioid Agonists and Peripherally Selective Antinociceptives. J Med Chem 62:641-653 (2019) [PubMed]  Article 
Target
Name:
Kappa-type opioid receptor
Synonyms:
Kappa Opioid Receptor | OPIATE Kappa | OPRK1 | OPRK_CAVPO | Opiate Kappa 1 | mu/kappa opioid receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42744.99
Organism:
Cavia porcellus (domestic guinea pig)
Description:
P41144
Residue:
380
Sequence:
MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
  
Inhibitor
Name:
BDBM50548314
Synonyms:
CHEMBL4793888
Type:
Small organic molecule
Emp. Form.:
C24H35N3O5
Mol. Mass.:
445.5518
SMILES:
[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](CCCCN)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
Structure:
Search PDB for entries with ligand similarity: