Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
LigandBDBM50220687
Substrate/Competitorn/a
Meas. Tech.ChEMBL_216961 (CHEMBL822779)
Ki 120±n/a nM
Citation Büttelmann, BAlanine, ABourson, AGill, RHeitz, MPMutel, VPinard, ETrube, GWyler, R 4-(3,4-dihydro-1H-isoquinolin-2yl)-pyridines and 4-(3,4-dihydro-1H-isoquinolin-2-yl)-quinolines as potent NR1/2B subtype selective NMDA receptor antagonists. Bioorg Med Chem Lett13:1759-62 (2003) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50220687
n/a
NameBDBM50220687
Synonyms:CHEMBL299546
TypeSmall organic molecule
Emp. Form.C18H17N3
Mol. Mass.275.3477
SMILESNc1cc(N2CCc3ccccc3C2)c2ccccc2n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: