| Reaction Details |
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 | Report a problem with these data |
| Target | Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor |
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| Ligand | BDBM50229179 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_32753 (CHEMBL641150) |
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| Ki | 0.660693±n/a nM |
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| Citation |  Clark, RD; Repke, DB; Berger, J; Nelson, JT; Kilpatrick, AT; Brown, CM; MacKinnon, AC; Clague, RU; Spedding, M Structure-affinity relationships of 12-sulfonyl derivatives of 5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquino[2,1-g][1 ,6] naphthyridines at alpha-adrenoceptors. J Med Chem34:705-17 (1991) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor |
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| Name: | Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor |
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| Synonyms: | Adrenergic receptor alpha-2 |
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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 935397 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Alpha-2C adrenergic receptor |
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| Synonyms: | ADA2C_RAT | Adra2c | Adrenergic receptor alpha | Alpha-2C adrenergic receptor | adrenergic Alpha2 | adrenergic Alpha2C |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 49890.50 |
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| Organism: | RAT |
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| Description: | adrenergic Alpha2 0 RAT::P22086 |
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| Residue: | 458 |
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| Sequence: | MASPALAAALAAAAAEGPNGSDAGEWGSGGGANASGTDWGPPPGQYSAGAVAGLAAVVGF
LIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFG
QVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISA
VISFPPLVSFYRRPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLR
TRTLSEKRGPAGPDGASPTTENGLGKAAGENGHCAPPRTEVEPDESSAAERRRRRGALRR
GGRRREGAEGDTGSADGPGPGLAAEQGARTASRSPGPGGRLSRASSRSVEFFLSRRRRAR
SSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQLPEPLFKFFFW
IGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
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| Component 2 |
| Name: | Alpha-2B adrenergic receptor |
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| Synonyms: | ADA2B_RAT | Adra2b | Adrenergic receptor alpha | Adrenergic receptor alpha-2 | Alpha-2B adrenergic receptor | Alpha-2B adrenoceptor | Alpha-2B adrenoreceptor | adrenergic Alpha2B |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 50379.83 |
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| Organism: | NEONATAL RAT |
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| Description: | adrenergic Alpha2B ADRA2B NEONATAL RAT::P19328 |
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| Residue: | 453 |
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| Sequence: | MSGPTMDHQEPYSVQATAAIASAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLA
AADILVATLIIPFSLANELLGYWYFWRAWCEVYLALDVLFCTSSIVHLCAISLDRYWAVS
RALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQRPEPRGLPQCELNQEAWYILA
SSIGSFFAPCLIMILVYLRIYVIAKRSHCRGLGAKRGSGEGESKKPQPVAGGVPTSAKVP
TLVSPLSSVGEANGHPKPPREKEEGETPEDPEARALPPTWSALPRSGQGQKKGTSGATAE
EGDEEDEEEVEECEPQTLPASPASVCNPPLQQPQTSRVLATLRGQVLLGKNVGVASGQWW
RRRTQLSREKRFTFVLAVVIGVFVVCWFPFFFSYSLGAICPQHCKVPHGLFQFFFWIGYC
NSSLNPVIYTVFNQDFRRAFRRILCRPWTQTGW
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| Component 3 |
| Name: | Alpha-2A adrenergic receptor [16-465] |
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| Synonyms: | ADA2A_RAT | Adra2a | Adrenaline 2 | Alpha-2A adrenergic receptor | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | Alpha-2D adrenergic receptor | Alpha2 Adrenoreceptor | CA2-47 | adrenergic Alpha2A |
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| Type: | G-protein coupled receptor |
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| Mol. Mass.: | 48961.69 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | P22909[16-465] |
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| Residue: | 450 |
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| Sequence: | MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFT
SRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSS
IVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGG
QQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACS
APPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSE
HAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKAS
RWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSS
LNPVIYTIFNHDFRRAFKKILCRGDRKRIV
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| BDBM50229179 |
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| n/a |
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| Name | BDBM50229179 |
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| Synonyms: | Delequamine |
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| Type | Small organic molecule |
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| Emp. Form. | C18H26N2O3S |
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| Mol. Mass. | 350.476 |
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| SMILES | [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O |
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| Structure | 
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