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Target
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
Ligand
BDBM50119933
Substrate
n/a
Meas. Tech.
ChEMBL_34578 (CHEMBL649340)
Ki
36±n/a nM
Citation
 Zhao, H; Thurkauf, A; He, X; Hodgetts, K; Zhang, X; Rachwal, S; Kover, RX; Hutchison, A; Peterson, J; Kieltyka, A; Brodbeck, R; Primus, R; Wasley, JW Indoline and piperazine containing derivatives as a novel class of mixed D(2)/D(4) receptor antagonists. Part 1: identification and structure-activity relationships. Bioorg Med Chem Lett 12:3105-9 (2002) [PubMed]  Article 
Target
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:
MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
  
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:
MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
  
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:
MTFRDILSVTFEGPRSSSSTGGSGAGGGAGTVGPEGGAVGGVPGATGGGAVVGTGSGEDNQSSTGEPGAAASGEVNGSAAVGGLVVSAQGVGVGVFLAAFILTAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSAAVLPFSATMEVLGFWAFGRTFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWAVALVVSVGPLLGWKEPVPPDERFCGITEEVGYAIFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGIKREPGKASEVVLRIHCRGAATSAKGYPGTQSSKGHTLRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRLWAVYGHHWRASTGDARSDCAPSPRIAPPGAPLALTAHPGAGSADTPETQDSVSSSRKPASALREWRLLGPLQRPTTQLRAKVSSLSHKIRSGARRAETACALRSEVEAVSLNVPQDGAEAVICQAYEPGDYSNLRETDI
  
Inhibitor
Name:
BDBM50119933
Synonyms:
1-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide | CHEMBL104380
Type:
Small organic molecule
Emp. Form.:
C21H26ClN3O2S
Mol. Mass.:
419.968
SMILES:
Clc1ccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: