Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM156570
Substrate
n/a
Meas. Tech.
enzyme assay
IC50
0.970±n/a nM
Citation
 Roberts, E; Guerrero, MA; Urbano, M; Rosen, H Kappa opioid ligands US Patent  US10118915 Publication Date 11/6/2018 
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:
BDBM156570
Synonyms:
US10118915, Compound 350 | US9682966, 350
Type:
Small organic molecule
Emp. Form.:
C25H33N5O
Mol. Mass.:
419.5624
SMILES:
CC1CCC(CC1)NC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1 |(8.67,-.62,;7.34,-1.39,;7.34,-2.93,;6,-3.7,;4.67,-2.93,;4.67,-1.39,;6,-.62,;3.33,-3.7,;2,-2.93,;.67,-3.7,;-.67,-2.93,;-.67,-1.39,;.67,-.62,;2,-1.39,;-2,-.62,;-3.33,-1.39,;-4.67,-.62,;-6,-1.39,;-7.34,-.62,;-7.34,.92,;-8.67,1.69,;-6,1.69,;-4.67,.92,;-3.33,1.69,;-2,.92,;-.67,1.69,;.8,1.21,;1.7,2.46,;3.24,2.46,;.8,3.7,;-.67,3.23,)|
Structure:
Search PDB for entries with ligand similarity: