Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50064518
Substrate
n/a
Meas. Tech.
ChEMBL_146799 (CHEMBL756054)
Ki
0.567000±n/a nM
Citation
 Thomas, JB; Mascarella, SW; Rothman, RB; Partilla, JS; Xu, H; McCullough, KB; Dersch, CM; Cantrell, BE; Zimmerman, DM; Carroll, FI Investigation of the N-substituent conformation governing potency and mu receptor subtype-selectivity in (+)-(3R, 4R)-dimethyl-4-(3-hydroxyphenyl)piperidine opioid antagonists. J Med Chem 41:1980-90 (1998) [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:
BDBM50064518
Synonyms:
3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-dimethyl-piperidin-4-yl}-phenol | 3-{1-[3-(2-Chloro-phenyl)-allyl]-3,4-dimethyl-piperidin-4-yl}-phenol | CHEMBL50594 | RTI-5989-23
Type:
Small organic molecule
Emp. Form.:
C22H26ClNO
Mol. Mass.:
355.901
SMILES:
C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1
Structure:
Search PDB for entries with ligand similarity: