Reaction Details  Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50613009
Substrate
n/a
Meas. Tech.
ChEMBL_2290771
Ki
1170±n/a nM
Citation
 Hennessy, MR; Gutridge, AM; French, AR; Rhoda, ES; Meqbil, YJ; Gill, M; Kashyap, Y; Appourchaux, K; Paul, B; Wang, ZJ; van Rijn, RM; Riley, AP Modified Akuamma Alkaloids with Increased Potency at the Mu-opioid Receptor. J Med Chem 66:3312-3326 (2023) [PubMed]
Target
Name:
Kappa-type opioid receptor
Synonyms:
K-OR-1 | KOR-1 | Kappa-opioid receptor (KOR) | Kappa-type opioid receptor (KOPR) | Kappa-type opioid receptor (KOR) | Kappa-type opioid receptor (Kappa) | OPIATE Kappa | OPRK | OPRK1 | OPRK_HUMAN | kappa opioid receptor (KOR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42648.76
Organism:
Homo sapiens (Human)
Description:
P41145
Residue:
380
Sequence:
MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
  
Inhibitor
Name:
BDBM50613009
Synonyms:
CHEMBL5280172
Type:
Small organic molecule
Emp. Form.:
C23H28N2O3
Mol. Mass.:
380.48
SMILES:
[H][C@@]12C[C@@]3([H])\C(CN1CC[C@@]14c5ccccc5N(CC)[C@@]21OC[C@@]34C(=O)OC)=C\C |r,TLB:17:20:7.6.5:2,21:20:7.6.5:2,22:23:7.6.5:2,11:10:7.6.5:2,28:5:2:10.20.23,THB:24:23:7.6.5:2,9:10:7.6.5:2,8:7:2:10.20.23,6:7:20:3.2.23|
Structure:
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