Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
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 PubChem ID
CID: 56971
SID: 14903693
Canonical SMILES
O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
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Compound Formula C19H23N5O3S
Compound Structure
Protein Name
 Protein Info 
5-hydroxytryptamine receptor 1A
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Serotonin receptor
Uniprot ID
P08908
Gene Name
HTR1A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 67.61 nM
   TI
   LI
   LO
   TS
2
Ki = 49.7 nM
   TI
   LI
   LO
   TS
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
Ki = 0.24 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 6 nM
   TI
   LI
   LO
   TS
2
Ki = 7.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 3.981 nM