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Target
Kappa-type opioid receptor
Ligand
BDBM50506225
Substrate
n/a
Meas. Tech.
ChEMBL_1825158 (CHEMBL4324922)
Ki
0.210000±n/a nM
Citation
 Ma, H; Obeng, S; Wang, H; Zheng, Y; Li, M; Jali, AM; Stevens, DL; Dewey, WL; Selley, DE; Zhang, Y Application of Bivalent Bioisostere Concept on Design and Discovery of Potent Opioid Receptor Modulators. J Med Chem 62:11399-11415 (2019) [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:
BDBM50506225
Synonyms:
CHEMBL4562210
Type:
Small organic molecule
Emp. Form.:
C29H31ClN2O4S
Mol. Mass.:
539.085
SMILES:
Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2sccc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Structure:
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