Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM50430606
Substrate
n/a
Meas. Tech.
ChEMBL_948257 (CHEMBL2340175)
Ki
0.082000±n/a nM
Citation
 Greedy, BM; Bradbury, F; Thomas, MP; Grivas, K; Cami-Kobeci, G; Archambeau, A; Bosse, K; Clark, MJ; Aceto, M; Lewis, JW; Traynor, JR; Husbands, SM Orvinols with mixed kappa/mu opioid receptor agonist activity. J Med Chem 56:3207-16 (2013) [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:
BDBM50430606
Synonyms:
CHEMBL2338714 | Isopentyl Orvinol M320
Type:
Small organic molecule
Emp. Form.:
C30H41NO4
Mol. Mass.:
479.6508
SMILES:
CO[C@]12C=C[C@@]3(C[C@@H]1[C@](C)(O)CCC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,wU:8.9,5.5,16.32,wD:8.10,26.38,25.25,7.8,2.1,c:3,THB:8:7:26.25:4.3,(43.61,-49.36,;42.29,-48.59,;42.3,-47.05,;40.92,-46.19,;41.8,-45.37,;40.79,-44.38,;42.31,-44.38,;43.08,-45.72,;44.62,-45.72,;44.61,-44.16,;45.96,-44.94,;45.4,-47.07,;44.61,-48.42,;45.39,-49.77,;44.61,-51.11,;46.94,-49.77,;39.97,-43.06,;38.47,-43.06,;37.73,-44.38,;36.19,-44.38,;35.41,-45.71,;36.19,-47.02,;35.39,-48.38,;37.73,-47.02,;39.17,-47.94,;40.76,-47.02,;40,-45.71,;39.22,-44.38,;39.22,-42.49,;40,-41.52,;40.78,-40.17,;42.33,-40.14,;43.68,-40.89,;43.66,-39.34,;38.47,-45.71,)|
Structure:
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