Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetOpioid receptors; mu/kappa/delta
LigandBDBM50090731
Substrate/Competitorn/a
Meas. Tech.Ligand Binding Assay
pH7.4±n/a
Ki 0.04±n/a nM
Commentsextracted
Citation Lewis JHusbands S Orvinol and thevinol derivatives useful in the treatment of anxiety or a compulsive disorder US Patent  US9480684 Publication Date 11/1/2016
More Info.:Get all data from this article,  Assay Method
 
Opioid receptors; mu/kappa/delta
Name:Opioid receptors; mu/kappa/delta
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 | kappa opioid receptor (KOR)
Type:G Protein-Coupled Receptor (GPCR)
Mol. Mass.:42648.76
Organism:Homo sapiens (Human)
Description:P41145
Residue:380
Sequence:
MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPV
IITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYL
MNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINI
CIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVL
IIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALG
STSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRV
RNTVQDPAYLRDIDGMNKPV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50090731
n/a
NameBDBM50090731
Synonyms:CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112 | US9480684, 22, R = 3- MePh- BU10112
TypeSmall organic molecule
Emp. Form.C32H37NO4
Mol. Mass.499.6405
SMILES[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4cccc(C)c4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;1.98,-4.74,;2.06,-6.28,;.77,-7.12,;-.6,-6.42,;-1.63,-7.1,;-.68,-4.89,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: