| Reaction Details |
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 | Report a problem with these data |
| Target | Delta-type/Kappa-type/Mu-type opioid receptor |
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| Ligand | BDBM50187377 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_357797 (CHEMBL862261) |
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| Ki | >2000±n/a nM |
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| Citation |  Becker, OM; Dhanoa, DS; Marantz, Y; Chen, D; Shacham, S; Cheruku, S; Heifetz, A; Mohanty, P; Fichman, M; Sharadendu, A; Nudelman, R; Kauffman, M; Noiman, S An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression. J Med Chem49:3116-35 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Delta-type/Kappa-type/Mu-type opioid receptor |
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| Name: | Delta-type/Kappa-type/Mu-type opioid receptor |
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| Synonyms: | Opioid receptors; mu/kappa/delta |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 357797 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Mu-type opioid receptor |
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| 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 |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 44789.51 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P35372 |
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| Residue: | 400 |
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| Sequence: | MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCP
PTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALAT
STLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDF
RTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFI
FAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHI
YVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNI
EQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
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| Component 2 |
| Name: | Kappa-type opioid receptor |
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| 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) |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 42648.76 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P41145 |
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| Residue: | 380 |
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| Sequence: | MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPV
IITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYL
MNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINI
CIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVL
IIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALG
STSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRV
RNTVQDPAYLRDIDGMNKPV
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| Component 3 |
| Name: | Delta-type opioid receptor |
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| 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 |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 40382.98 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Competition binding assays were carried out using membrane preparations from transfected HN9.10 cells that constitutively expressed the delta opioid receptor. |
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| Residue: | 372 |
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| Sequence: | MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVC
AVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELL
CKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVG
VPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRL
RSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAAL
HLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTAC
TPSDGPGGGAAA
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| BDBM50187377 |
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| n/a |
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| Name | BDBM50187377 |
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| Synonyms: | CHEMBL209821 | N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide | N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide |
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| Type | Small organic molecule |
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| Emp. Form. | C23H38N4O3S |
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| Mol. Mass. | 450.638 |
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| SMILES | CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1 |
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| Structure | 
|
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