Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM54812
Substrate
n/a
Meas. Tech.
HTS Image-Based Screen for Selective Antagonists of the KOR Receptor
IC50
8336±1130 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:
BDBM54812
Synonyms:
(E)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-N-(phenylmethyl)but-2-enamide | (E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-4-oxo-N-(phenylmethyl)-2-butenamide | (E)-N-benzyl-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-but-2-enamide | (E)-N-benzyl-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-4-oxobut-2-enamide | MLS000714569 | SMR000274548 | cid_5770963
Type:
Small organic molecule
Emp. Form.:
C26H30N2O5
Mol. Mass.:
450.5268
SMILES:
COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c(O)c1
Structure:
Search PDB for entries with ligand similarity: