Reaction Details |
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Target | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
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Ligand | BDBM50019376 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_33977 (CHEMBL645242) |
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IC50 | 2±n/a nM |
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Citation | Yevich, JP; New, JS; Smith, DW; Lobeck, WG; Catt, JD; Minielli, JL; Eison, MS; Taylor, DP; Riblet, LA; Temple, DL Synthesis and biological evaluation of 1-(1,2-benzisothiazol-3-yl)- and (1,2-benzisoxazol-3-yl)piperazine derivatives as potential antipsychotic agents. J Med Chem29:359-69 (1986) [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 |
Synonyms: | Adrenergic receptor alpha-1 | Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor | alpha-1 Adrenergic Receptor |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 303470 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Alpha-1B adrenergic receptor |
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 |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 56606.71 |
Organism: | Rattus norvegicus (rat) |
Description: | Receptor binding assays were performed using rat cortical membranes. |
Residue: | 515 |
Sequence: | MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAI
VGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDI
WAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGP
LLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAG
VMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVV
GMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFM
RILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLP
SASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESP
GTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
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Component 2 |
Name: | Alpha-1A adrenergic receptor |
Synonyms: | ADA1A_RAT | Adra1a | Adra1c | Alpha-1 adrenoreceptor | Alpha-1A adrenoceptor | Alpha-1A adrenoreceptor | Alpha-1C adrenergic receptor | adrenergic Alpha1A |
Type: | Protein |
Mol. Mass.: | 51620.15 |
Organism: | Rattus norvegicus (Rat) |
Description: | P43140 |
Residue: | 466 |
Sequence: | MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSV
THYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCII
SIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINE
EPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKN
VPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPD
FKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTL
HPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACT
TARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
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Component 3 |
Name: | Alpha-1D adrenergic receptor |
Synonyms: | ADA1D_RAT | Adra1a | Adra1d | Alpha adrenergic receptor 1A and 1D | Alpha-1D adrenergic receptor | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 |
Type: | Protein |
Mol. Mass.: | 59375.97 |
Organism: | Rattus norvegicus (Rat) |
Description: | P23944 |
Residue: | 561 |
Sequence: | MTFRDILSVTFEGPRSSSSTGGSGAGGGAGTVGPEGGAVGGVPGATGGGAVVGTGSGEDN
QSSTGEPGAAASGEVNGSAAVGGLVVSAQGVGVGVFLAAFILTAVAGNLLVILSVACNRH
LQTVTNYFIVNLAVADLLLSAAVLPFSATMEVLGFWAFGRTFCDVWAAVDVLCCTASILS
LCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWAVALVVSVGPLLGWKEPVPPDERFC
GITEEVGYAIFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGIKREPGKASEVVLRI
HCRGAATSAKGYPGTQSSKGHTLRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFF
VLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRR
RLWAVYGHHWRASTGDARSDCAPSPRIAPPGAPLALTAHPGAGSADTPETQDSVSSSRKP
ASALREWRLLGPLQRPTTQLRAKVSSLSHKIRSGARRAETACALRSEVEAVSLNVPQDGA
EAVICQAYEPGDYSNLRETDI
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BDBM50019376 |
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n/a |
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Name | BDBM50019376 |
Synonyms: | 4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(4-fluoro-phenyl)-butan-1-ol | CHEMBL331227 |
Type | Small organic molecule |
Emp. Form. | C21H24FN3O2 |
Mol. Mass. | 369.4326 |
SMILES | OC(CCCN1CCN(CC1)c1noc2ccccc12)c1ccc(F)cc1 |
Structure |
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