Reaction Details
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Alpha-1B adrenergic receptor
Ligand
BDBM50160152
Substrate
n/a
Ki
79±n/a nM
Comments
PDSP_6218
Citation
Kinsella, GK; Rozas, I; Watson, GW Computational study of antagonist/alpha1A adrenoceptor complexes--observations of conformational variations on the formation of ligand/receptor complexes. J Med Chem 49:501-10 (2006) [PubMed] Article More Info.:
Target
Name:
Alpha-1B adrenergic receptor
Synonyms:
ADRA1B | Adra1b protein | adrenergic Alpha1B
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50983.17
Organism:
Mus musculus
Description:
Q05D47
Residue:
462
Sequence:
MNPDLDTGHNTSAPAHWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGGCAYTYRPWTRGGSLERSQSPKDSLDDSGSCMSGSQRTLPSASPSPGYLGLGTQPPVELCASPEWKPGALLSLPEPPGRRGR
Inhibitor
Name:
BDBM50160152
Synonyms:
3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-phenyl]-piperazin-1-yl}-propyl)-5-methyl-1H-pyrimidine-2,4-dione | 3-(3-{4-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-phenyl]-piperazin-1-yl}-propyl)-5-methyl-1H-pyrimidine-2,4-dione | CHEMBL24777 | RS-100975 | Ro-700004
Type:
Small organic molecule
Emp. Form.:
C20H24F4N4O3
Mol. Mass.:
444.4232
SMILES:
Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Structure:
