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Target
Kappa-type opioid receptor
Ligand
BDBM50271708
Substrate
n/a
Meas. Tech.
ChEMBL_145851 (CHEMBL756114)
IC50
1140±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:
BDBM50271708
Synonyms:
(2S,5R)-2,5-Dicyclohexyl-1-(4-methyl-cyclohexylmethyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
Type:
Small organic molecule
Emp. Form.:
C25H44N3
Mol. Mass.:
386.6364
SMILES:
CC1CCC(CN2[C@H](CN3[C@@H](C[NH+]=C23)C2CCCCC2)C2CCCCC2)CC1 |r,wU:10.15,wD:7.22,t:12,(10.65,-14.86,;11.71,-13.74,;11.28,-12.26,;12.34,-11.15,;13.83,-11.52,;14.89,-10.4,;14.46,-8.92,;15.39,-7.69,;14.52,-6.42,;13.05,-6.86,;11.59,-6.34,;10.65,-7.57,;11.52,-8.84,;13,-8.41,;11.15,-4.87,;12.21,-3.76,;11.77,-2.29,;10.28,-1.92,;9.21,-3.04,;9.65,-4.52,;16.93,-7.73,;17.67,-9.1,;19.2,-9.14,;20.01,-7.83,;19.28,-6.48,;17.73,-6.43,;14.28,-12.99,;13.21,-14.11,)|
Structure:
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