Reaction Details  Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50568639
Substrate
n/a
Meas. Tech.
ChEMBL_2106126 (CHEMBL4814801)
IC50
6310±n/a nM
Citation
 Creed, SM; Gutridge, AM; Argade, MD; Hennessy, MR; Friesen, JB; Pauli, GF; van Rijn, RM; Riley, AP Isolation and Pharmacological Characterization of Six Opioidergic  J Nat Prod 84:71-80 (2021) [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:
BDBM50568639
Synonyms:
CHEMBL4846243
Type:
Small organic molecule
Emp. Form.:
C22H26N2O3
Mol. Mass.:
366.4534
SMILES:
[H][C@@]12C[C@@]3([H])C(CN1CC[C@@]14c5ccccc5N(C)[C@@]21OC[C@]34C(=O)OC)=CC |r,TLB:27:5:2:10.19.22,11:10:2:7.5.6,20:19:2:7.5.6,21:22:2:7.5.6,17:19:2:7.5.6,THB:6:7:19:2.22.3,23:22:2:7.5.6,8:7:2:10.19.22,9:10:2:7.5.6|
Structure:
Search PDB for entries with ligand similarity: