Reaction Details  Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50292919
Substrate
n/a
Meas. Tech.
ChEMBL_980541 (CHEMBL2422700)
Ki
13±n/a nM
Citation
 Yuan, Y; Elbegdorj, O; Beletskaya, IO; Selley, DE; Zhang, Y Structure activity relationship studies of 17-cyclopropylmethyl-3,14?-dihydroxy-4,5?-epoxy-6?-(isoquinoline-3'-carboxamido)morphinan (NAQ) analogues as potent opioid receptor ligands: preliminary results on the role of electronic characteristics for affinity and function. Bioorg Med Chem Lett 23:5045-8 (2013) [PubMed]  Article
Target
Name:
Kappa-type opioid receptor
Synonyms:
KOR-1 | MSL-1 | OPIATE Kappa | OPRK_MOUSE | Oprk1
Type:
Enzyme
Mol. Mass.:
42656.78
Organism:
Mus musculus (Mouse)
Description:
P33534
Residue:
380
Sequence:
MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
  
Inhibitor
Name:
BDBM50292919
Synonyms:
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy-6alpha-[(3'-isoquinolyl)acetamido]morphinan | CHEMBL522201
Type:
Small organic molecule
Emp. Form.:
C30H31N3O4
Mol. Mass.:
497.5848
SMILES:
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Structure:
Search PDB for entries with ligand similarity: