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Target
Kappa-type opioid receptor
Ligand
BDBM50586122
Substrate
n/a
Meas. Tech.
ChEMBL_2164697 (CHEMBL5049558)
Ki
0.610000±n/a nM
Citation
 Pagare, PP; Li, M; Zheng, Y; Kulkarni, AS; Obeng, S; Huang, B; Ruiz, C; Gillespie, JC; Mendez, RE; Stevens, DL; Poklis, JL; Halquist, MS; Dewey, WL; Selley, DE; Zhang, Y Design, Synthesis, and Biological Evaluation of NAP Isosteres: A Switch from Peripheral to Central Nervous System Acting Mu-Opioid Receptor Antagonists. J Med Chem 65:5095-5112 (2022) [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:
BDBM50586122
Synonyms:
CHEMBL5090637
Type:
Small organic molecule
Emp. Form.:
C27H33ClN2O5
Mol. Mass.:
501.014
SMILES:
Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccco1)ccc3O |r,THB:10:9:17:6.5.7|
Structure:
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