Reaction Details |
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Target | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor |
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Ligand | BDBM50280823 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_33416 (CHEMBL648812) |
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IC50 | >100±n/a nM |
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Citation | Mignani, S; Damour, D; Doble, A; Labaudinière, R; Malleron, JL; Piot, O; Gueremy, C New indole derivatives as potent and selective serotonin uptake inhibitors Bioorg Med Chem Lett3:1913-1918 (1993) Article |
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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: | Alpha-1 adrenergic receptor |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 33416 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Alpha-1D adrenergic receptor |
Synonyms: | ADA1D_MOUSE | Adra1a | Adra1d | Alpha-1 adrenergic receptor | Gpcr8 | adrenergic Alpha2 |
Type: | Enzyme |
Mol. Mass.: | 59890.14 |
Organism: | Mus musculus (Mouse) |
Description: | P97714 |
Residue: | 562 |
Sequence: | MTFRDILSVTFEGPRASSSTGGSGAGGGAGTVGPEGPAVGGVPGATGGSAVVGTGSGEDN
QSSTAEAGAAASGEVNGSAAVGGLVVSAQGVGVGVFLAAFILTAVAGNLLVILSVACNRH
LQTVTNYFIVNLAVADLLLSAAVLPFSATMEVLGFWPFGRTFCDVWAAVDVLCCTASILS
LCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWAVALVVSVGPLLGWKEPVPPDERFC
GITEEVGYAIFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGIKREPGKASEVVLRI
HCRGAATSAKGNPGTQSSKGHTLRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFF
VLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRR
RLWPSLRPPLASLDRRPALRLCPQPAHRTPRGSPSPHCTPRPGLRRHAGGAGFGLRPSKA
SLRLREWRLLGPLQRPTTQLRAKVSSLSHKFRSGGARRAETACALRSEVEAVSLNVPQDG
AEAVICQAYEPGDLSNLRETDI
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Component 2 |
Name: | Alpha-1B adrenergic receptor |
Synonyms: | ADA1B_MOUSE | Adra1b | Alpha-1 adrenergic receptor |
Type: | Enzyme |
Mol. Mass.: | 56439.49 |
Organism: | Mus musculus (Mouse) |
Description: | P97717 |
Residue: | 514 |
Sequence: | MNPDLDTGHNTSAPAHWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGCLGAFILFAIV
GNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTDLPFSATLEVLGYWVLGRIFCDIW
AAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPL
LGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGV
MKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVG
MFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMR
ILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGSQRTLPS
ASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGEPESPG
TEGDASNGGCDTTTDLANGQPGFKSNMPLAPGHF
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Component 3 |
Name: | Alpha-1A adrenergic receptor |
Synonyms: | ADA1A_MOUSE | Adra1a | Adra1c | Alpha-1 adrenergic receptor |
Type: | Enzyme |
Mol. Mass.: | 51769.32 |
Organism: | Mus musculus (Mouse) |
Description: | P97718 |
Residue: | 466 |
Sequence: | MVLLSENASEGSNCTHPPAQVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSV
THYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCII
SIDRYIGVSYPLRYPTIVTQRRGVRALLCVWALSLVISIGPLFGWRQQAPEDETICQINE
EPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKN
VPAEGSGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPN
FKPPETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTL
HPPSQAVEGQHRGMVRIPVGSGETFYKISKTDGVREWKFFSSMPQGSARITMPKDQSACT
TARVRSKSFLQVCCCVGSSTPRPEENHQVPTIKIHTISLGENGEEV
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BDBM50280823 |
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n/a |
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Name | BDBM50280823 |
Synonyms: | 1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1-yl]-ethyl}-3-methyl-1H,3H-2-thia-1,3-diaza-phenalene 2,2-dioxide | CHEMBL61149 |
Type | Small organic molecule |
Emp. Form. | C27H29FN4O2S |
Mol. Mass. | 492.608 |
SMILES | CN1c2cccc3cccc(N(CCN4CCC(Cc5c[nH]c6ccc(F)cc56)CC4)S1(=O)=O)c23 |
Structure |
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