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Target
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
Ligand
BDBM50270777
Substrate
n/a
Meas. Tech.
ChEMBL_1709546 (CHEMBL4119595)
IC50
348±n/a nM
Citation
 Krause-Heuer, AM; Fraser-Spears, R; Dobrowolski, JC; Ashford, ME; Wyatt, NA; Roberts, MP; Gould, GG; Cheah, WC; Ng, CKL; Bhadbhade, M; Zhang, B; Greguric, I; Wheate, NJ; Kumar, N; Koek, W; Callaghan, PD; Daws, LC; Fraser, BH Evaluation of the antidepressant therapeutic potential of isocyanine and pseudoisocyanine analogues of the organic cation decynium-22. Eur J Med Chem 137:476-487 (2017) [PubMed]  Article 
Target
Name:
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
Synonyms:
Alpha-1 adrenergic receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 33416
Components:
This complex has 3 components.
Component 1
Name:
Alpha-1D adrenergic receptor
Synonyms:
ADA1D_MOUSE | Adra1a | Adra1d | Alpha-1 adrenergic receptor | Gpcr8 | adrenergic Alpha2
Type:
Enzyme
Mol. Mass.:
59890.14
Organism:
Mus musculus (Mouse)
Description:
P97714
Residue:
562
Sequence:
MTFRDILSVTFEGPRASSSTGGSGAGGGAGTVGPEGPAVGGVPGATGGSAVVGTGSGEDNQSSTAEAGAAASGEVNGSAAVGGLVVSAQGVGVGVFLAAFILTAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSAAVLPFSATMEVLGFWPFGRTFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWAVALVVSVGPLLGWKEPVPPDERFCGITEEVGYAIFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGIKREPGKASEVVLRIHCRGAATSAKGNPGTQSSKGHTLRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRLWPSLRPPLASLDRRPALRLCPQPAHRTPRGSPSPHCTPRPGLRRHAGGAGFGLRPSKASLRLREWRLLGPLQRPTTQLRAKVSSLSHKFRSGGARRAETACALRSEVEAVSLNVPQDGAEAVICQAYEPGDLSNLRETDI
  
Component 2
Name:
Alpha-1B adrenergic receptor
Synonyms:
ADA1B_MOUSE | Adra1b | Alpha-1 adrenergic receptor
Type:
Enzyme
Mol. Mass.:
56439.49
Organism:
Mus musculus (Mouse)
Description:
P97717
Residue:
514
Sequence:
MNPDLDTGHNTSAPAHWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGCLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTDLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGSQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGEPESPGTEGDASNGGCDTTTDLANGQPGFKSNMPLAPGHF
  
Component 3
Name:
Alpha-1A adrenergic receptor
Synonyms:
ADA1A_MOUSE | Adra1a | Adra1c | Alpha-1 adrenergic receptor
Type:
Enzyme
Mol. Mass.:
51769.32
Organism:
Mus musculus (Mouse)
Description:
P97718
Residue:
466
Sequence:
MVLLSENASEGSNCTHPPAQVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWALSLVISIGPLFGWRQQAPEDETICQINEEPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGSGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPNFKPPETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQAVEGQHRGMVRIPVGSGETFYKISKTDGVREWKFFSSMPQGSARITMPKDQSACTTARVRSKSFLQVCCCVGSSTPRPEENHQVPTIKIHTISLGENGEEV
  
Inhibitor
Name:
BDBM50270777
Synonyms:
CHEMBL4126353
Type:
Small organic molecule
Emp. Form.:
C23H22FIN2
Mol. Mass.:
472.3371
SMILES:
[I-].CCN1\C(=C\c2ccc3cc(F)ccc3[n+]2CC)C=Cc2ccccc12 |c:20|
Structure:
Search PDB for entries with ligand similarity: