Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50290867
Substrate
n/a
Meas. Tech.
ChEBML_92550
Ki
70±n/a nM
Citation
 Dondio, G; Ronzoni, S; Petrillo, P; DesJarlais, RL; Raveglia, LF Pyrrolooctahydroisoquinolines as potent and selective opioid receptor ligands: SAR analysis and docking studies Bioorg Med Chem Lett 7:2967-2972 (1997)    Article 
Target
Name:
Kappa-type opioid receptor
Synonyms:
KOR-1 | MSL-1 | OPIATE Kappa | OPRK_MOUSE | Oprk1
Type:
Enzyme
Mol. Mass.:
42656.78
Organism:
Mus musculus (Mouse)
Description:
P33534
Residue:
380
Sequence:
MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
  
Inhibitor
Name:
BDBM50290867
Synonyms:
(4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxylic acid amide | CHEMBL327956
Type:
Small organic molecule
Emp. Form.:
C21H27N3O2
Mol. Mass.:
353.458
SMILES:
CCN1CC[C@@]2(Cc3[nH]c(C(N)=O)c(C)c3C[C@H]2C1)c1cccc(O)c1
Structure:
Search PDB for entries with ligand similarity: