Reaction Details  Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50613010
Substrate
n/a
Meas. Tech.
ChEMBL_2290771
Ki
580±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:
BDBM50613010
Synonyms:
CHEMBL5276128
Type:
Small organic molecule
Emp. Form.:
C22H25IN2O4
Mol. Mass.:
508.3494
SMILES:
[H][C@@]12C[C@@]3([H])\C(CN1CC[C@@]14c5cc(O)c(I)cc5N(C)[C@@]21OC[C@@]34C(=O)OC)=C/C |r,TLB:19:21:7.6.5:2,11:10:7.6.5:2,22:21:7.6.5:2,23:24:7.6.5:2,29:5:2:10.21.24,THB:9:10:7.6.5:2,8:7:2:10.21.24,25:24:7.6.5:2,6:7:21:3.2.24|
Structure:
Search PDB for entries with ligand similarity: