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Target
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
Ligand
BDBM50078561
Substrate
n/a
Meas. Tech.
ChEBML_33269
Ki
>1000±n/a nM
Citation
 López-Rodríguez, ML; Morcillo, MJ; Fernández, E; Rosado, ML; Orensanz, L; Beneytez, ME; Manzanares, J; Fuentes, JA; Schaper, KJ Design and synthesis of 2-[4-[4-(m-(ethylsulfonamido)-phenyl) piperazin-1-yl]butyl]-1,3-dioxoperhydropyrrolo[1,2-c]imidazole (EF-7412) using neural networks. A selective derivative with mixed 5-HT1A/D2 antagonist properties. Bioorg Med Chem Lett 9:1679-82 (1999) [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:
BDBM50078561
Synonyms:
CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide | Ethanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide (EF-7412)
Type:
Small organic molecule
Emp. Form.:
C22H33N5O4S
Mol. Mass.:
463.594
SMILES:
CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Structure:
Search PDB for entries with ligand similarity: