Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50551314
Substrate
n/a
Meas. Tech.
ChEMBL_2031142 (CHEMBL4685300)
Ki
0.022000±n/a nM
Citation
 Sz?cs, E; Marton, J; Szabó, Z; Hosztafi, S; Kékesi, G; Tuboly, G; Bánki, L; Horváth, G; Szabó, PT; Tömböly, C; Varga, ZK; Benyhe, S; Ötvös, F Synthesis, biochemical, pharmacological characterization and in silico profile modelling of highly potent opioid orvinol and thevinol derivatives. Eur J Med Chem 191:0 (2020) [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:
BDBM50551314
Synonyms:
CHEMBL4751305
Type:
Small organic molecule
Emp. Form.:
C29H33NO4
Mol. Mass.:
459.5766
SMILES:
[H][C@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@]14C51C[C@]([H])([C@@](C)(O)CCc4ccccc4)[C@]2(O)C=C1)ccc3O |r,c:36,TLB:3:4:12.11.9:14,33:5:12.11.9:14,4:13:16.15:31.32,12:13:16.15:31.32,THB:18:16:13.1:31.32|
Structure:
Search PDB for entries with ligand similarity: