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Target
Kappa-type opioid receptor
Ligand
BDBM50271957
Substrate
n/a
Meas. Tech.
ChEMBL_145851 (CHEMBL756114)
IC50
362±n/a nM
Citation
 Houghten, RA; Pinilla, C; Appel, JR; Blondelle, SE; Dooley, CT; Eichler, J; Nefzi, A; Ostresh, JM Mixture-based synthetic combinatorial libraries. J Med Chem 42:3743-78 (1999) [PubMed]  Article 
Target
Name:
Kappa-type opioid receptor
Synonyms:
K-OR-1 | KOR-1 | Kappa-opioid receptor (KOR) | Kappa-type opioid receptor (KOPR) | Kappa-type opioid receptor (KOR) | Kappa-type opioid receptor (Kappa) | OPIATE Kappa | OPRK | OPRK1 | OPRK_HUMAN | kappa opioid receptor (KOR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42648.76
Organism:
Homo sapiens (Human)
Description:
P41145
Residue:
380
Sequence:
MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
  
Inhibitor
Name:
BDBM50271957
Synonyms:
(3R,6R)-3-Cyclohexyl-6-(4-methoxy-benzyl)-7-(4-methyl-cyclohexylmethyl)-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium
Type:
Small organic molecule
Emp. Form.:
C27H42N3O
Mol. Mass.:
424.6413
SMILES:
COc1ccc(C[C@@H]2CN3[C@@H](C[NH+]=C3N2CC2CCC(C)CC2)C2CCCCC2)cc1 |r,wU:7.6,10.25,c:12,(5.32,1,;3.78,1.03,;2.98,-.28,;3.71,-1.64,;2.91,-2.95,;1.37,-2.9,;.57,-4.21,;-.97,-4.17,;-1.84,-2.9,;-3.32,-3.34,;-4.78,-2.82,;-5.72,-4.05,;-4.85,-5.32,;-3.36,-4.88,;-1.91,-5.4,;-1.47,-6.88,;.03,-7.24,;.46,-8.72,;1.95,-9.08,;3.02,-7.97,;4.51,-8.33,;2.58,-6.49,;1.08,-6.12,;-5.22,-1.34,;-4.16,-.23,;-4.59,1.24,;-6.09,1.6,;-7.15,.49,;-6.72,-1,;.63,-1.56,;1.43,-.25,)|
Structure:
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