Reaction Details  Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50568641
Substrate
n/a
Meas. Tech.
ChEMBL_2106123 (CHEMBL4814798)
Ki
2512±n/a nM
Citation
 Creed, SM; Gutridge, AM; Argade, MD; Hennessy, MR; Friesen, JB; Pauli, GF; van Rijn, RM; Riley, AP Isolation and Pharmacological Characterization of Six Opioidergic  J Nat Prod 84:71-80 (2021) [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:
BDBM50568641
Synonyms:
CHEMBL4852987
Type:
Small organic molecule
Emp. Form.:
C23H26N2O5
Mol. Mass.:
410.4629
SMILES:
[H][C@@]12C[C@@]34c5ccccc5N[C@]3(O1)[C@]1([H])C[C@@]([H])(C(CN21)=CC)[C@@]4(COC(C)=O)C(=O)OC |r,TLB:21:18:15:3.11.23,4:3:15:20.18.19,10:11:15:20.18.19,24:23:15:20.18.19,THB:29:23:15:20.18.19,1:20:15:3.11.23,2:3:15:20.18.19,12:11:15:20.18.19|
Structure:
Search PDB for entries with ligand similarity: