| Reaction Details |
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 | Report a problem with these data |
| Target | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
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| Ligand | BDBM50002238 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_34133 |
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| IC50 | 460±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-1A/Alpha-1B/Alpha-1D adrenergic receptor |
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| Name: | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
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| Synonyms: | Adrenergic receptor alpha-1 | Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor | alpha-1 Adrenergic Receptor |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 303470 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Alpha-1B adrenergic receptor |
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| Synonyms: | ADA1B_RAT | Adra1b | Alpha 1B-adrenoceptor | Alpha 1B-adrenoreceptor | Alpha adrenergic receptor 1A and 1B | Alpha-1 Adrenergic Receptor | Alpha-1Adrenoceptor | Alpha-1B adrenergic receptor | Alpha-1B adrenoreceptor | adrenergic Alpha1B |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 56606.71 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | Receptor binding assays were performed using rat cortical membranes. |
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| Residue: | 515 |
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| Sequence: | MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAI
VGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDI
WAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGP
LLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAG
VMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVV
GMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFM
RILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLP
SASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESP
GTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
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| Component 2 |
| Name: | Alpha-1A adrenergic receptor |
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| Synonyms: | ADA1A_RAT | Adra1a | Adra1c | Alpha-1 adrenoreceptor | Alpha-1A adrenoceptor | Alpha-1A adrenoreceptor | Alpha-1C adrenergic receptor | adrenergic Alpha1A |
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| Type: | Protein |
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| Mol. Mass.: | 51620.15 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P43140 |
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| Residue: | 466 |
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| Sequence: | MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSV
THYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCII
SIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINE
EPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKN
VPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPD
FKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTL
HPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACT
TARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
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| Component 3 |
| Name: | Alpha-1D adrenergic receptor |
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| Synonyms: | ADA1D_RAT | Adra1a | Adra1d | Alpha adrenergic receptor 1A and 1D | Alpha-1D adrenergic receptor | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 |
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| Type: | Protein |
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| Mol. Mass.: | 59375.97 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P23944 |
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| Residue: | 561 |
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| Sequence: | MTFRDILSVTFEGPRSSSSTGGSGAGGGAGTVGPEGGAVGGVPGATGGGAVVGTGSGEDN
QSSTGEPGAAASGEVNGSAAVGGLVVSAQGVGVGVFLAAFILTAVAGNLLVILSVACNRH
LQTVTNYFIVNLAVADLLLSAAVLPFSATMEVLGFWAFGRTFCDVWAAVDVLCCTASILS
LCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWAVALVVSVGPLLGWKEPVPPDERFC
GITEEVGYAIFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGIKREPGKASEVVLRI
HCRGAATSAKGYPGTQSSKGHTLRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFF
VLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRR
RLWAVYGHHWRASTGDARSDCAPSPRIAPPGAPLALTAHPGAGSADTPETQDSVSSSRKP
ASALREWRLLGPLQRPTTQLRAKVSSLSHKIRSGARRAETACALRSEVEAVSLNVPQDGA
EAVICQAYEPGDYSNLRETDI
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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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