Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdrenergic receptor alpha-1
LigandBDBM50131347
Substrate/Competitorn/a
Meas. Tech.ChEMBL_303405
Ki>1000±n/a nM
Citation Andrés, JIAlcázar, JAlonso, JMAlvarez, RMBakker, MHBiesmans, ICid, JMDe Lucas, AIFernández, JFont, LMHens, KAIturrino, LLenaerts, IMartínez, SMegens, AAPastor, JVermote, PCSteckler, T Discovery of a new series of centrally active tricyclic isoxazoles combining serotonin (5-HT) reuptake inhibition with alpha2-adrenoceptor blocking activity. J Med Chem48:2054-71 (2005) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50131347
NameBDBM50131347
Synonyms:(3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-but-2-enyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole | (3R,3aS)-7,8-Dimethoxy-3-[4-(3-phenyl-but-2-enyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole | CHEMBL419316
TypeSmall organic molecule
Emp. Form.C27H33N3O4
Mol. Mass.463.5686
SMILESCOc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a