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 | BDBM50225254 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_146017 (CHEMBL752708) |
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IC50 | 13±n/a nM |
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Citation | Koolpe, GA; Nelson, WL; Gioannini, TL; Angel, L; Simon, EJ Diastereomeric 6-desoxy-6-spiro-alpha-methylene-gamma-butyrolactone derivatives of naltrexone and oxymorphone. Selective irreversible inhibition of naltrexone binding in an opioid receptor preparation by a conformationally restricted michael acceptor ligand. J Med Chem27:1718-23 (1984) [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 146137 |
Components: | This complex has 4 components. |
Component 1 |
Name: | Sigma non-opioid intracellular receptor 1 |
Synonyms: | Opioid receptor, sigma 1 | Oprs1 | SGMR1_MOUSE | Sigma 1-type opioid receptor | Sigma1-receptor | Sigma1R | Sigmar1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 25246.51 |
Organism: | Mus musculus (Mouse) |
Description: | O55242 |
Residue: | 223 |
Sequence: | MPWAAGRRWAWITLILTIIAVLIQAAWLWLGTQNFVFSREEIAQLARQYAGLDHELAFSR
LIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCILHASLSEYVLLFGTALGSHGHSGRY
WAEISDTIISGTFHQWKEGTTKSEVFYPGETVVHGPGEATALEWGPNTWMVEYGRGVIPS
TLFFALADTFFSTQDYLTLFYTLRAYARGLRLELTTYLFGQDS
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Component 2 |
Name: | Mu-type opioid receptor |
Synonyms: | M-OR-1 | MOR-1 | Mor | OPIATE Mu | OPRM_MOUSE | Opioid receptors; mu and delta | Oprm | Oprm1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 44431.62 |
Organism: | MOUSE |
Description: | OPIATE Mu OPRM1 MOUSE::P42866 |
Residue: | 398 |
Sequence: | MDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQT
GSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATST
LPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRT
PRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFA
FIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYV
IIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQ
QNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
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Component 3 |
Name: | Kappa-type opioid receptor |
Synonyms: | KOR-1 | MSL-1 | OPIATE Kappa | OPRK_MOUSE | Oprk1 |
Type: | Enzyme |
Mol. Mass.: | 42656.78 |
Organism: | Mus musculus (Mouse) |
Description: | P33534 |
Residue: | 380 |
Sequence: | MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPV
IITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYL
MNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINI
CIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVL
IIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALG
STSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRV
RNTVQDPASMRDVGGMNKPV
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Component 4 |
Name: | Delta-type opioid receptor |
Synonyms: | DOR-1 | K56 | MSL-2 | OPIATE Delta | OPRD_MOUSE | Opioid receptors; mu and delta | Oprd1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 40577.25 |
Organism: | MOUSE |
Description: | P32300 |
Residue: | 372 |
Sequence: | MELVPSARAELQSSPLVNLSDAFPSAFPSAGANASGSPGARSASSLALAIAITALYSAVC
AVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELL
CKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVG
VPIMVMAVTQPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRL
RSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAAL
HLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRTPCGRQEPGSLRRPRQATTRERVTAC
TPSDGPGGGAAA
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BDBM50225254 |
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n/a |
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Name | BDBM50225254 |
Synonyms: | CHEMBL610531 |
Type | Small organic molecule |
Emp. Form. | C24H27NO5 |
Mol. Mass. | 409.4749 |
SMILES | [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34 |r,THB:26:25:20:30.3.2| |
Structure |
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