Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,3R,4S)-1-Dibutylcarbamoylmethyl-2-(2,2-dimethyl-pentyl)-4-(7-methoxy-benzo[1,3]dioxol-5-yl)-pyrrolidine-3-carboxylic acid
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 PubChem ID
CID: 9915028
SID: 14885499
Canonical SMILES
CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC(C)(C)CCC)C(O)=O)c1cc2OCOc2c(OC)c1
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Compound Formula C30H48N2O6
Compound Structure
Protein Name
 Protein Info 
Endothelin-1 receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Endothelin receptor
Uniprot ID
P25101
Gene Name
EDNRA
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
IC50 = 24900 nM
   TI
   LI
   LO
   TS
2
Ki = 0.46 nM
   TI
   LI
   LO
   TS
CL000304 MMQ
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
Ki = 0.46 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.49 nM
2 IC50 ~ 0.49 nM
3 Ki ~ 0.46 nM