Reaction Details |
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Target | Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 |
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Ligand | BDBM50000091 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_145710 (CHEMBL753917) |
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IC50 | 8.4±n/a nM |
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Citation | Rice, KC; Konicki, PE; Quirion, R; Burke, TR; Pert, CB Synthesis and pharmacological characterization of (+/-)-5,9 alpha-dimethyl-2-[2-(4-fluorophenyl)ethyl]-2'-hydroxy-6,7-benzomorphan (fluorophen), a ligand suitable for visualization of opiate receptors in vivo. J Med Chem26:1643-5 (1983) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 |
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Name: | Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 |
Synonyms: | Opioid receptor |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 172778 |
Components: | This complex has 4 components. |
Component 1 |
Name: | Mu-type opioid receptor |
Synonyms: | MOR-1 | MUOR1 | Mu-type opioid receptor (MOR) | OPIATE Mu | OPRM_RAT | Opiate non-selective | Opioid receptor B | Oprm1 | Ror-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 | Oprs1 | SGMR1_RAT | Sigma | Sigma non-opioid intracellular receptor 1 | Sigma opioid receptor | Sigma-1 | Sigmar1 |
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 | OPRK_RAT | Opioid receptor | Oprk1 | Ror-d |
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: | 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: | MEPVPSARAELQFSLLANVSDTFPSAFPSASANASGSPGARSASSLALAIAITALYSAVC
AVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELL
CKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVG
VPIMVMAVTQPRDGAVVCTLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRL
RSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAAL
HLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRAPCGGQEPGSLRRPRQATARERVTAC
TPSDGPGGGAAA
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BDBM50000091 |
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n/a |
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Name | BDBM50000091 |
Synonyms: | (6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one | (6S,11R)-3-Cyclopropylmethyl-9-hydroxy-6,11-dimethyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one | 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one | 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one (ethylketocyclazocine) | 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one(Ethylketazocine, EKC) | CHEMBL279968 | EKC | EKC(-) |
Type | Small organic molecule |
Emp. Form. | C19H25NO2 |
Mol. Mass. | 299.4073 |
SMILES | CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4| |
Structure |
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