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Target
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
Ligand
BDBM50137976
Substrate
n/a
Meas. Tech.
ChEMBL_32418 (CHEMBL644957)
Ki
0.500000±n/a nM
Citation
 Campiani, G; Butini, S; Fattorusso, C; Catalanotti, B; Gemma, S; Nacci, V; Morelli, E; Cagnotto, A; Mereghetti, I; Mennini, T; Carli, M; Minetti, P; Di Cesare, MA; Mastroianni, D; Scafetta, N; Galletti, B; Stasi, MA; Castorina, M; Pacifici, L; Vertechy, M; Di Serio, S; Ghirardi, O; Tinti, O; Carminati, P Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents. J Med Chem 47:143-57 (2003) [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:
BDBM50137976
Synonyms:
9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene | CHEMBL367045
Type:
Small organic molecule
Emp. Form.:
C17H19N3S
Mol. Mass.:
297.418
SMILES:
CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8|
Structure:
Search PDB for entries with ligand similarity: