Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50131968
Substrate
n/a
Meas. Tech.
ChEMBL_146382 (CHEMBL754739)
Ki
0.780000±n/a nM
Citation
 Anzini, M; Canullo, L; Braile, C; Cappelli, A; Gallelli, A; Vomero, S; Menziani, MC; De Benedetti, PG; Rizzo, M; Collina, S; Azzolina, O; Sbacchi, M; Ghelardini, C; Galeotti, N Synthesis, biological evaluation, and receptor docking simulations of 2-[(acylamino)ethyl]-1,4-benzodiazepines as kappa-opioid receptor agonists endowed with antinociceptive and antiamnesic activity. J Med Chem 46:3853-64 (2003) [PubMed]  Article 
Target
Name:
Kappa-type opioid receptor
Synonyms:
Kappa Opioid Receptor | OPIATE Kappa | OPRK1 | OPRK_CAVPO | Opiate Kappa 1 | mu/kappa opioid receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42744.99
Organism:
Cavia porcellus (domestic guinea pig)
Description:
P41144
Residue:
380
Sequence:
MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
  
Inhibitor
Name:
BDBM50131968
Synonyms:
CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl]-ethyl}-amide
Type:
Small organic molecule
Emp. Form.:
C23H22FN3OS
Mol. Mass.:
407.504
SMILES:
CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
Structure:
Search PDB for entries with ligand similarity: