Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50274402
Substrate
n/a
Meas. Tech.
ChEMBL_537686 (CHEMBL993480)
IC50
55±n/a nM
Citation
Kawai, K; Hayakawa, J; Miyamoto, T; Imamura, Y; Yamane, S; Wakita, H; Fujii, H; Kawamura, K; Matsuura, H; Izumimoto, N; Kobayashi, R; Endo, T; Nagase, H Design, synthesis, and structure-activity relationship of novel opioid kappa-agonists. Bioorg Med Chem 16:9188-201 (2008) [PubMed] Article
More Info.:
Target
Name:
Kappa-type opioid receptor
Synonyms:
KOR-1 | MSL-1 | OPIATE Kappa | OPRK_MOUSE | Oprk1
Type:
Enzyme
Mol. Mass.:
42656.78
Organism:
Mouse
Description:
P33534
Residue:
380
Sequence:
MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
Inhibitor
Name:
BDBM50274402
Synonyms:
(2E)-N-[(5R,6R)-4,5-Epoxy-3,14-dihydroxy-17-methylmorphinan-6-yl]-3-(furan-3-yl)-N-methylprop-2-enamide | CHEMBL485554
Type:
Small organic molecule
Emp. Form.:
C25H28N2O5
Mol. Mass.:
436.5002
SMILES:
CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.22.8:18.20.19,THB:6:5:9.22.8:18.20.19|