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Target
Kappa-type opioid receptor
Ligand
BDBM50354995
Substrate
n/a
Meas. Tech.
ChEMBL_772112 (CHEMBL1837878)
Ki
6.355±n/a nM
Citation
 Nagase, H; Koyano, K; Wada, N; Hirayama, S; Watanabe, A; Nemoto, T; Nakajima, M; Nakao, K; Mochizuki, H; Fujii, H Synthesis of novel triplet drugs with 1,3,5-trioxazatriquinane skeletons and their pharmacologies. Part 2: Synthesis of novel triplet drugs with the epoxymethano structure (capped homotriplet). Bioorg Med Chem Lett 21:6198-202 (2011) [PubMed]  Article 
Target
Name:
Kappa-type opioid receptor
Synonyms:
Kappa Opioid Receptor | OPIATE Kappa | OPRK1 | OPRK_CAVPO | Opiate Kappa 1 | mu/kappa opioid receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42744.99
Organism:
Cavia porcellus (domestic guinea pig)
Description:
P41144
Residue:
380
Sequence:
MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
  
Inhibitor
Name:
BDBM50354995
Synonyms:
CHEMBL1834900
Type:
Small organic molecule
Emp. Form.:
C44H51N3O7
Mol. Mass.:
733.8916
SMILES:
Oc1ccc2C[C@@H]3[C@@H]4CC[C@]5(O[C@H]6CO[C@@H]7N6[C@H]5O[C@]75CC[C@H]6[C@H]7Cc8ccc(O)c9O[C@@H]5[C@]6(CCN7CC5CC5)c89)[C@@H]5Oc1c2[C@]45CCN3CC1CC1 |r|
Structure:
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