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TargetOpioid receptor
LigandBDBM50001028
Substrate/Competitorn/a
Meas. Tech.ChEMBL_223413
IC50 87±n/a nM
Citation Huegi BSEbnöther AMRissi EGadient FHauser DRoemer DHill RCBuescher HHPetcher TJ Synthesis and pharmacological studies of 4,4-disubstituted piperidines: a new class of compounds with potent analgesic properties. J Med Chem 26:42-50 (1983) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Opioid receptor
Name:Opioid receptor
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 172778
Components:This complex has 4 components.
Component 1
Name:Nociceptin/mu opioid receptor
Synonyms:MOR-1 | MUOR1 | Mu-type opioid receptor | Mu-type opioid receptor (MOR) | OPIATE Mu | Opiate non-selective | Opioid receptor B
Type:G Protein-Coupled Receptor (GPCR)
Mol. Mass.:44503.11
Organism:Rattus norvegicus (rat)
Description:Competition binding assays were carried out using membrane preparations from transfected HN9.10 cells that constitutively expressed the mu opioid receptor.
Residue:398
Sequence:
MDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQT
GSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATST
LPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRT
PRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFA
FIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYV
IIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQ
QNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
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Component 2
Name:Sigma non-opioid intracellular receptor 1
Synonyms:Opioid receptor | Sigma | Sigma opioid receptor | Sigma-1
Type:Enzyme Catalytic Domain
Mol. Mass.:25266.54
Organism:RAT
Description:Q9R0C9
Residue:223
Sequence:
MPWAVGRRWAWITLFLTIVAVLIQAVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSR
LIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSHGHSGRY
WAEISDTIISGTFHQWREGTTKSEVYYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPS
TLAFALSDTIFSTQDFLTLFYTLRAYARGLRLELTTYLFGQDP
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Component 3
Name:Kappa-type opioid receptor
Synonyms:KOR-1 | Kappa Opioid Receptor | OPIATE Kappa
Type:G Protein-Coupled Receptor (GPCR)
Mol. Mass.:42692.90
Organism:Rattus norvegicus (rat)
Description:P34975
Residue:380
Sequence:
MESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPV
IITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYL
MNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINI
CIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVL
IIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALG
STSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRV
RNTVQDPASMRDVGGMNKPV
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Component 4
Name:Opioid receptors; mu & delta
Synonyms:Cytochrome P450 3A4 | DOR-1 | Delta opioid receptor | Delta-type opioid receptor | Delta-type opioid receptor (DOR) | OPIATE Delta | Opiate Delta 1 | Opioid receptor | Opioid receptor 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:
MEPVPSARAELQFSLLANVSDTFPSAFPSASANASGSPGARSASSLALAIAITALYSAVC
AVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELL
CKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVG
VPIMVMAVTQPRDGAVVCTLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRL
RSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAAL
HLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRAPCGGQEPGSLRRPRQATARERVTAC
TPSDGPGGGAAA
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BDBM50001028
n/a
NameBDBM50001028
Synonyms:(+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol | (6R,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol | 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol | 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Pentazocine) | CHEMBL560 | PENTAZOCINE (+) | PENTAZOCINE (-) | Pentazocine | Pentazocine,(+/-) | Talacen | Talwin | US10231963, Table B.8 | US9656961, Example 00125 | rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
TypeSmall organic molecule
Emp. Form.C19H27NO
Mol. Mass.285.4238
SMILES[#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
Structure
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