Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50271991
Substrate
n/a
Meas. Tech.
ChEMBL_145851 (CHEMBL756114)
IC50
560±n/a nM
Citation
 Houghten, RA; Pinilla, C; Appel, JR; Blondelle, SE; Dooley, CT; Eichler, J; Nefzi, A; Ostresh, JM Mixture-based synthetic combinatorial libraries. J Med Chem 42:3743-78 (1999) [PubMed]  Article 
Target
Name:
Kappa-type opioid receptor
Synonyms:
K-OR-1 | KOR-1 | Kappa-opioid receptor (KOR) | Kappa-type opioid receptor (KOPR) | Kappa-type opioid receptor (KOR) | Kappa-type opioid receptor (Kappa) | OPIATE Kappa | OPRK | OPRK1 | OPRK_HUMAN | kappa opioid receptor (KOR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42648.76
Organism:
Homo sapiens (Human)
Description:
P41145
Residue:
380
Sequence:
MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
  
Inhibitor
Name:
BDBM50271991
Synonyms:
(2S,5R)-1-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)-2,5-dicyclohexyl-1H,2H,3H,5H,6H-imidazo[1,2-a]imidazolidin-7-ium | (2S,5S)-1-(2-{bicyclo[2.2.1]heptan-2-yl}ethyl)-2,5-dicyclohexyl-1H,2H,3H,5H,6H-imidazo[1,2-a]imidazolidin-7-ium
Type:
Small organic molecule
Emp. Form.:
C26H44N3
Mol. Mass.:
398.6471
SMILES:
C(CN1C(C[N+]2=C1NCC2C1CCCCC1)C1CCCCC1)C1CC2CCC1C2 |c:5,THB:0:22:28:26.25|
Structure:
Search PDB for entries with ligand similarity: