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Target
Kappa-type opioid receptor
Ligand
BDBM50118179
Substrate
n/a
Meas. Tech.
ChEMBL_1514758 (CHEMBL3614959)
Ki
1.9±n/a nM
Citation
 Nakajima, R; Yamamoto, N; Hirayama, S; Iwai, T; Saitoh, A; Nagumo, Y; Fujii, H; Nagase, H Synthesis of new opioid derivatives with a propellane skeleton and their pharmacologies: Part 5, novel pentacyclic propellane derivatives with a 6-amide side chain. Bioorg Med Chem 23:6271-9 (2015) [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:
BDBM50118179
Synonyms:
CHEMBL3613168
Type:
Small organic molecule
Emp. Form.:
C42H54N2O6S
Mol. Mass.:
714.953
SMILES:
CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2.[H][C@]12C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)[C@@]4([H])C=C1)C[C@@H]2N(C)C(=O)CCc1ccccc1 |r,c:42|
Structure:
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