Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-3-[(1S,3S)-3-(3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-yl)-cyclopentylcarbamoyl]-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
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 PubChem ID
CID: 44300166
Canonical SMILES
COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC
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Compound Formula C30H35F2N5O5
Compound Structure
Protein Name
 Protein Info 
Alpha-1B adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Adrenergic receptor
Uniprot ID
P35368
Gene Name
ADRA1B
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000440 LM
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 130 nM
   TI
   LI
   LO
   TS