Reaction Details Report a problem with these data
Target
Delta-type opioid receptor
Ligand
BDBM206331
Substrate
n/a
Meas. Tech.
Ligand Binding Assay
pH
7.4±n/a
Ki
1.08±n/a nM
Comments
extracted
Citation
 Lewis, J; Husbands, S Orvinol and thevinol derivatives useful in the treatment of anxiety or a compulsive disorder US Patent  US9480684 Publication Date 11/1/2016 
Target
Name:
Delta-type opioid receptor
Synonyms:
Cytochrome P450 3A4 | DOR-1 | Delta opioid receptor | Delta-type opioid receptor | Delta-type opioid receptor (DOR) | OPIATE Delta | OPRD_RAT | Opiate Delta 1 | Opioid receptor | Opioid receptor A | Opioid receptors; mu & delta | Oprd1 | Ror-a | Voltage-gated potassium channel
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
40465.04
Organism:
Rattus norvegicus (rat)
Description:
Competition binding assays were using CHO-K1 cell membranes expressing the opioid receptor.
Residue:
372
Sequence:
MEPVPSARAELQFSLLANVSDTFPSAFPSASANASGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTQPRDGAVVCTLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRAPCGGQEPGSLRRPRQATARERVTACTPSDGPGGGAAA
  
Inhibitor
Name:
BDBM206331
Synonyms:
US9259422, 23, R = Ph-BU129 | US9480684, 23, R = Ph- BU129
Type:
Small organic molecule
Emp. Form.:
C31H35NO4
Mol. Mass.:
485.6139
SMILES:
CO[C@]12C=C[C@@]3(C[C@]1(C)[C@@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,wU:27.40,26.27,2.1,7.9,9.10,wD:5.5,17.34,7.8,c:3,TLB:9:7:27.26:4.3,8:7:27.26:4.3,(-2.59,-4.56,;-1.25,-3.81,;-1.24,-2.28,;-1.49,-1.01,;-.9,.2,;-.91,1.55,;-2.33,.54,;-2.59,-1.13,;-4.1,-.93,;-3.61,-2.27,;-3.13,-3.72,;-5.1,-1.95,;-6.13,-3.09,;-7.62,-2.78,;-8.1,-1.32,;-7.08,-.18,;-5.58,-.5,;.77,2.37,;2.38,2.46,;3.18,1.1,;4.71,.7,;5.08,-.8,;3.98,-1.88,;4.32,-3.38,;2.49,-1.38,;1.22,-2.28,;.1,-1.17,;.36,.57,;-.21,2.25,;-.59,3.79,;.93,3.98,;2,5.08,;1.58,6.55,;.49,7.62,;1.96,8.03,;1.92,.13,)|
Structure:
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