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Target
Delta-type/Kappa-type/Mu-type opioid receptor
Ligand
BDBM50001713
Substrate
n/a
Meas. Tech.
ChEBML_145721
IC50
2.4±n/a nM
Citation
 Klein, P; Nelson, WL O3-(2-carbomethoxyallyl) ethers of opioid ligands derived from oxymorphone, naltrexone, etorphine, diprenorphine, norbinaltorphimine, and naltrindole. Unexpected O3-dealkylation in the opioid radioligand displacement assay. J Med Chem 35:4589-94 (1993) [PubMed]  Article 
Target
Name:
Delta-type/Kappa-type/Mu-type opioid receptor
Synonyms:
Opioid receptors; mu/kappa/delta
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 357797
Components:
This complex has 3 components.
Component 1
Name:
Mu-type opioid receptor
Synonyms:
M-OR-1 | MOP | MOR-1 | MOR1 | MUOR1 | Mu Opioid Receptor | Mu opiate receptor | OPIATE Mu | OPRM1 | OPRM_HUMAN | hMOP | mu-type opioid receptor isoform MOR-1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
44789.51
Organism:
Homo sapiens (Human)
Description:
P35372
Residue:
400
Sequence:
MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
  
Component 2
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
  
Component 3
Name:
Delta-type opioid receptor
Synonyms:
D-OR-1 | DOR-1 | Delta opioid receptor | Delta-type opioid receptor (Delta) | OPIATE Delta | OPRD | OPRD1 | OPRD_HUMAN | OPRK1 | opioid receptor, delta 1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
40382.98
Organism:
Homo sapiens (Human)
Description:
Competition binding assays were carried out using membrane preparations from transfected HN9.10 cells that constitutively expressed the delta opioid receptor.
Residue:
372
Sequence:
MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
  
Inhibitor
Name:
BDBM50001713
Synonyms:
CHEMBL143815 | methyl 2-[19-(1-hydroxy-1-methylbutyl)-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10,16-tetraen-11-yloxymethyl]acrylate
Type:
Small organic molecule
Emp. Form.:
C30H39NO6
Mol. Mass.:
509.6338
SMILES:
CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4OCC(=C)C(=O)OC |wU:3.2,20.22,wD:25.29,14.15,8.8,6.5,11.12,3.4,c:9,(9.11,-3.65,;7.57,-3.65,;6.8,-2.32,;5.26,-2.32,;5.23,-.78,;5.65,-3.81,;3.72,-2.32,;2.95,-.99,;1.41,-.96,;1.41,-2.5,;2.92,-2.11,;2.92,-3.65,;3.69,-5,;5.23,-5,;1.38,-3.65,;-.18,-4.02,;-1.65,-3.62,;-.88,-2.29,;-1.65,-.96,;-.9,.37,;.64,.37,;1.03,1.86,;1.97,3.07,;-.3,1.09,;-.72,-1.52,;.64,-2.29,;-3.19,-.96,;-3.96,-2.29,;-3.19,-3.62,;-3.96,-4.95,;-5.5,-4.95,;-6.27,-6.31,;-5.5,-7.64,;-7.81,-6.31,;-8.58,-7.64,;-8.58,-4.95,;-7.81,-3.62,)|
Structure:
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