Reaction Details  Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50609011
Substrate
n/a
Meas. Tech.
ChEMBL_2275985
EC50
1144±n/a nM
Citation
 Chakraborty, S; Uprety, R; Slocum, ST; Irie, T; Le Rouzic, V; Li, X; Wilson, LL; Scouller, B; Alder, AF; Kruegel, AC; Ansonoff, M; Varadi, A; Eans, SO; Hunkele, A; Allaoa, A; Kalra, S; Xu, J; Pan, YX; Pintar, J; Kivell, BM; Pasternak, GW; Cameron, MD; McLaughlin, JP; Sames, D; Majumdar, S Oxidative Metabolism as a Modulator of Kratom's Biological Actions. J Med Chem 64:16553-16572 (2021) [PubMed]
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:
BDBM50609011
Synonyms:
CHEMBL5287921
Type:
Small organic molecule
Emp. Form.:
C28H36N2O10
Mol. Mass.:
560.5928
SMILES:
[H][C@@]12C[C@@H]([C@H](CC)CN1CCc1c2[nH]c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c12)C(=C/OC)\C(=O)OC |r|
Structure:
Search PDB for entries with ligand similarity: