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TargetAdrenergic receptor alpha-1
LigandBDBM50080029
Substrate/Competitorn/a
Meas. Tech.ChEMBL_33429
Ki 180±n/a nM
Citation Pinard, EAlanine, ABourson, ABüttelmann, BGill, RHeitz, MJaeschke, GMutel, VTrube, GWyler, R Discovery of (R)-1-[2-hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4-methyl-benzyl)-piperidin-4-ol: a novel NR1/2B subtype selective NMDA receptor antagonist. Bioorg Med Chem Lett11:2173-6 (2001) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adrenergic receptor alpha-1
Name:Adrenergic receptor alpha-1
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 306566
Components:This complex has 3 components.
Component 1
Name:Alpha adrenergic receptor (1a and 1d)
Synonyms:ADRA1A | ADRA1D | Adrenergic receptor alpha | Alpha 1D-adrenoceptor | Alpha 1D-adrenoreceptor | Alpha-1D adrenoceptor | Alpha-adrenergic receptor 1a | adrenergic Alpha1D
Type:Enzyme Catalytic Domain
Mol. Mass.:60485.82
Organism:Homo sapiens (Human)
Description:adrenergic Alpha1D ADRA1D HUMAN::P25100
Residue:572
Sequence:
MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAG
SGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILS
VACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCC
TASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVP
PDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKAS
EVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLC
WFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQ
CRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEM
QAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVE
AVSLGVPHEVAEGATCQAYELADYSNLRETDI
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Component 2
Name:Adrenergic receptor alpha
Synonyms:Alpha 1B-adrenoceptor | Alpha 1B-adrenoreceptor | Alpha-1B adrenergic receptor
Type:Enzyme
Mol. Mass.:56862.13
Organism:Homo sapiens (Human)
Description:P35368
Residue:520
Sequence:
MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAI
VGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDI
WAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGP
LLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAG
VMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVV
GMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFV
RILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRT
LPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLT
EPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
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Component 3
Name:Alpha-1A adrenergic receptor
Synonyms:ADRA1A | ADRA1C | Adrenergic alpha1A | Alpha 1A-adrenoceptor | Alpha 1A-adrenoreceptor | Alpha adrenergic receptor 1a | Alpha-1C adrenergic receptor | Alpha-adrenergic receptor 1c | Cerebral cortex alpha adrenergic receptor | adrenergic Alpha1 | adrenergic Alpha1C
Type:Cell-surface receptors
Mol. Mass.:51511.67
Organism:Homo sapiens (Human)
Description:P35348
Residue:466
Sequence:
MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSV
THYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCII
SIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINE
EPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKN
APAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPD
FKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTL
HPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCT
TARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
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BDBM50080029
NameBDBM50080029
Synonyms:4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl)phenol | 4-[(1R,2S)-3-(4-Benzyl-piperidin-1-yl)-1-hydroxy-2-methyl-propyl]-phenol | 4-[(R)-3-(4-Benzyl-piperidin-1-yl)-1-(S)-hydroxy-2-methyl-propyl]-phenol | CHEMBL305195 | Ro 25-6981 | Ro-25-6981
TypeSmall organic molecule
Emp. Form.C22H29NO2
Mol. Mass.339.4712
SMILESC[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a