Reaction Details |
| Report a problem with these data |
Target | Delta-type/Kappa-type/Mu-type opioid receptor |
---|
Ligand | BDBM50000091 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_145872 (CHEMBL754077) |
---|
IC50 | 5.9±n/a nM |
---|
Citation | Judd, DB; Brown, DS; Lloyd, JE; McElroy, AB; Scopes, DI; Birch, PJ; Hayes, AG; Sheehan, MJ Synthesis, antinociceptive activity, and opioid receptor profiles of substituted trans-3-(decahydro- and octahydro-4a-isoquinolinyl)phenols. J Med Chem35:48-56 (1992) [PubMed] |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Delta-type/Kappa-type/Mu-type opioid receptor |
---|
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: | MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCP
PTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALAT
STLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDF
RTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFI
FAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHI
YVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNI
EQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
|
|
|
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: | MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPV
IITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYL
MNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINI
CIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVL
IIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALG
STSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRV
RNTVQDPAYLRDIDGMNKPV
|
|
|
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: | MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVC
AVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELL
CKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVG
VPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRL
RSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAAL
HLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTAC
TPSDGPGGGAAA
|
|
|
BDBM50000091 |
---|
n/a |
---|
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 |
|