Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM54796
Substrate
n/a
Meas. Tech.
HTS Image-Based Screen for Selective Antagonists of the KOR Receptor
IC50
1124±194 nM
Citation
 PubChem, PC HTS Image-Based Screen for Selective Antagonists of the KOR Receptor PubChem Bioassay (2009)[AID] 
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:
BDBM54796
Synonyms:
MLS000028833 | PYR-HIS-TRP-SER-TYR-D-HIS(BZL)-LEU-ARG-PRO-NHET | SMR000058953 | cid_25078009
Type:
Small organic molecule
Emp. Form.:
C66H86N18O12
Mol. Mass.:
1323.5024
SMILES:
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1cn(Cc2ccccc2)cn1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1 |(7.49,-14.31,;8.26,-12.98,;9.8,-12.99,;10.57,-11.65,;12.11,-11.66,;9.8,-10.32,;8.27,-10.15,;7.96,-8.65,;9.29,-7.88,;10.43,-8.91,;11.94,-8.59,;12.97,-9.74,;12.42,-7.13,;11.39,-5.98,;9.88,-6.3,;8.85,-5.16,;7.35,-5.47,;6.32,-4.33,;6.8,-2.86,;4.81,-4.64,;13.93,-6.81,;14.4,-5.35,;13.38,-4.2,;15.91,-5.03,;16.94,-6.18,;17.26,-7.68,;18.72,-8.16,;16.11,-8.71,;16.39,-3.57,;17.9,-3.25,;18.93,-4.4,;18.37,-1.79,;19.88,-1.47,;20.91,-2.61,;22.44,-2.46,;23.07,-3.86,;24.57,-4.19,;25.05,-5.65,;26.55,-5.98,;27.02,-7.44,;25.99,-8.58,;24.49,-8.26,;24.01,-6.8,;21.92,-4.89,;20.59,-4.12,;17.35,-.64,;17.82,.82,;19.33,1.14,;16.8,1.97,;17.27,3.43,;18.78,3.75,;19.81,2.61,;21.32,2.92,;21.8,4.39,;23.3,4.7,;20.77,5.53,;19.26,5.22,;15.29,1.65,;14.26,2.8,;14.74,4.26,;12.75,2.48,;12.28,1.02,;13.3,-.13,;11.73,3.63,;10.22,3.31,;9.74,1.85,;9.19,4.46,;7.68,4.14,;7.2,2.67,;8.1,1.44,;7.2,.2,;5.75,.67,;4.41,-.1,;3.08,.67,;3.08,2.21,;4.41,2.98,;5.75,2.21,;9.67,5.92,;8.64,7.07,;7.13,6.75,;9.12,8.53,;10.63,8.85,;11.1,10.31,;10.2,11.56,;11.11,12.8,;12.57,12.32,;12.57,10.78,;8.09,9.68,;6.58,9.36,;6.1,7.89,;5.55,10.5,;4.02,10.35,;3.4,11.75,;4.54,12.78,;4.39,14.31,;5.88,12.01,)|
Structure:
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