Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50049805
Substrate
n/a
Meas. Tech.
ChEMBL_146367 (CHEMBL759287)
Ki
0.780000±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:
BDBM50049805
Synonyms:
CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-amide | Tifluadom
Type:
Small organic molecule
Emp. Form.:
C22H20FN3OS
Mol. Mass.:
393.477
SMILES:
CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14|
Structure:
Search PDB for entries with ligand similarity: