Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50159170
Substrate
n/a
Meas. Tech.
ChEMBL_303490 (CHEMBL838864)
Ki
347.0±n/a nM
Citation
 Munro, TA; Rizzacasa, MA; Roth, BL; Toth, BA; Yan, F Studies toward the pharmacophore of salvinorin A, a potent kappa opioid receptor agonist. J Med Chem 48:345-8 (2005) [PubMed]  Article 
Target
Name:
Kappa-type opioid receptor
Synonyms:
KOR-1 | Kappa Opioid Receptor | OPIATE Kappa | OPRK_RAT | Opioid receptor | Oprk1 | Ror-d
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42692.90
Organism:
Rattus norvegicus (rat)
Description:
P34975
Residue:
380
Sequence:
MESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
  
Inhibitor
Name:
BDBM50159170
Synonyms:
(2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hydroxymethyl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate | Acetic acid (3S,4aR,4bS,6S,8R,8aS,10aR)-3-furan-3-yl-8-hydroxymethyl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthren-6-yl ester | CHEMBL425016
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[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Structure:
Search PDB for entries with ligand similarity: