Reaction Details |
| Report a problem with these data |
Target | Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 |
---|
Ligand | BDBM50001028 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_223414 (CHEMBL844026) |
---|
IC50 | 13±n/a nM |
---|
Citation | Huegi, BS; Ebnöther, AM; Rissi, E; Gadient, F; Hauser, D; Roemer, D; Hill, RC; Buescher, HH; Petcher, TJ Synthesis and pharmacological studies of 4,4-disubstituted piperidines: a new class of compounds with potent analgesic properties. J Med Chem26:42-50 (1983) [PubMed] |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 |
---|
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
|
|
|
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
|
|
|
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
|
|
|
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
|
|
|
BDBM50001028 |
---|
n/a |
---|
Name | BDBM50001028 |
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 | US10736890, Compound TABLE B.8 | US11534436, Compound 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 |
Type | Small 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 |
|