Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50049808
Substrate
n/a
Meas. Tech.
ChEMBL_146367 (CHEMBL759287)
Ki
4.7±n/a nM
Citation
 Cappelli, A; Anzini, M; Vomero, S; Menziani, MC; De Benedetti, PG; Sbacchi, M; Clarke, GD; Mennuni, L Synthesis, biological evaluation, and quantitative receptor docking simulations of 2-[(acylamino)ethyl]-1,4-benzodiazepines as novel tifluadom-like ligands with high affinity and selectivity for kappa-opioid receptors. J Med Chem 39:860-72 (1996) [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:
BDBM50049808
Synonyms:
CHEMBL127968 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-4-fluoro-benzamide
Type:
Small organic molecule
Emp. Form.:
C25H23ClFN3O
Mol. Mass.:
435.921
SMILES:
CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Structure:
Search PDB for entries with ligand similarity: