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Target
Kappa-type opioid receptor
Ligand
BDBM50274257
Substrate
n/a
Meas. Tech.
ChEMBL_537686 (CHEMBL993480)
IC50
0.55±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 
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:
BDBM50274257
Synonyms:
(2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-yl]-3-(furan-2-yl)-N-methylprop-2-enamide | (2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(furan-2-yl)-N-methylprop-2-enamide | CHEMBL485605 | TRK-820
Type:
Small organic molecule
Emp. Form.:
C28H32N2O5
Mol. Mass.:
476.5641
SMILES:
CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Structure:
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