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Target
Kappa-type opioid receptor
Ligand
BDBM50586089
Substrate
n/a
Meas. Tech.
ChEMBL_2164668 (CHEMBL5049529)
Ki
1.8±n/a nM
Citation
 Huang, B; Li, M; Klongkumnuankarn, P; Mendez, RE; Gillespie, JC; Stevens, DL; Dewey, WL; Selley, DE; Zhang, Y Rational Design, Chemical Syntheses, and Biological Evaluations of Peripherally Selective Mu Opioid Receptor Ligands as Potential Opioid Induced Constipation Treatment. J Med Chem 65:4991-5003 (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:
BDBM50586089
Synonyms:
CHEMBL5090510
Type:
Small organic molecule
Emp. Form.:
C24H28N4O4
Mol. Mass.:
436.5035
SMILES:
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ncc[nH]1)ccc3O |r,THB:10:9:17:6.4.5|
Structure:
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