Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50189171
Substrate
n/a
Meas. Tech.
ChEMBL_396128 (CHEMBL910349)
Ki
>10000±n/a nM
Citation
 Béguin, C; Richards, MR; Li, JG; Wang, Y; Xu, W; Liu-Chen, LY; Carlezon, WA; Cohen, BM Synthesis and in vitro evaluation of salvinorin A analogues: effect of configuration at C(2) and substitution at C(18). Bioorg Med Chem Lett 16:4679-85 (2006) [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:
BDBM50189171
Synonyms:
(2S,4aS,6aS,7R,9S,10aS)-2-(furan-3-yl)-7-(hydroxymethyl)-6a,10b-dimethyl-5,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate | CHEMBL426689
Type:
Small organic molecule
Emp. Form.:
C22H28O7
Mol. Mass.:
404.4535
SMILES:
CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC(=O)[C@@H]3CO[C@@H](CC3(C)[C@H]2C1=O)c1ccoc1
Structure:
Search PDB for entries with ligand similarity: