Reaction Details
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Target
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
Ligand
BDBM50280827
Substrate
n/a
Meas. Tech.
ChEMBL_33416 (CHEMBL648812)
IC50
>100±n/a nM
Citation
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More Info.:
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:
BDBM50280827
Synonyms:
1'-{2-[4-(5-fluoro-1H-3-indolylmethyl)hexahydro-1-pyridinyl]ethyl}spiro[cyclopropane-1,3'-(2',3'-dihydro-1'H-indole)]-2'-one | CHEMBL61256
Type:
Small organic molecule
Emp. Form.:
C26H28FN3O
Mol. Mass.:
417.5184
SMILES:
Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)C5(CC5)c5ccccc45)CC3)c2c1