| 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 | BDBM50002238 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_34062 |
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| IC50 | >1000±n/a nM |
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| Citation |  Yevich, JP; New, JS; Lobeck, WG; Dextraze, P; Bernstein, E; Taylor, DP; Yocca, FD; Eison, MS; Temple, DL Synthesis and biological characterization of alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazinebutanol and analogues as potential atypical antipsychotic agents. J Med Chem35:4516-25 (1993) [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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| BDBM50002238 |
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| n/a |
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| Name | BDBM50002238 |
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| Synonyms: | (R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol | (S)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol | 1-(4-Fluoro-phenyl)-1-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol(BMY-14802) | 1-(4-Fluoro-phenyl)-4-[4-(4-fluoro-phenyl)-piperazin-1-yl]-butan-1-ol | 1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol | 1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol(BMY-14802) | 1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)butan-1-ol | 4-{4-[5-Fluoro-2-(4-fluoro-phenyl)-2H-pyrimidin-1-yl]-piperazin-1-yl}-butan-1-ol | 4-{4-[5-Fluoro-2-(4-fluoro-phenyl)-2H-pyrimidin-1-yl]-piperazin-1-yl}-butan-1-ol(BMY 14802) | BMY-14802 | CHEMBL60859 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H22F2N4O |
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| Mol. Mass. | 348.3903 |
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| SMILES | OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 |
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| Structure | 
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