Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM54810
Substrate
n/a
Meas. Tech.
HTS Image-Based Screen for Selective Antagonists of the KOR Receptor
IC50
16096±2860 nM
Citation
 PubChem, PC HTS Image-Based Screen for Selective Antagonists of the KOR Receptor PubChem Bioassay (2009)[AID] 
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:
BDBM54810
Synonyms:
(E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-N-(2-methoxyethyl)but-2-enamide | (E)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-but-2-enamide | (E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxo-2-butenamide | (E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxobut-2-enamide | MLS000714572 | SMR000274551 | cid_5770966
Type:
Small organic molecule
Emp. Form.:
C22H30N2O6
Mol. Mass.:
418.4834
SMILES:
COCCN(CC(=O)NC1CCCCC1)C(=O)\C=C\C(=O)c1ccc(OC)cc1O
Structure:
Search PDB for entries with ligand similarity: