Brief Information of the Compound and Protein
Compound Name
2-[(2S,5R,8S,11S)-5-benzyl-8-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-cyclohexyl-2-[[(2S)-3-cyclohexyl-2-(1,2-oxazole-5-carbonylamino)propanoyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-11-[3-(diaminomethylideneamino)propyl]-3,6,12,15-tetraoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;2,2,2-trifluoroacetic acid
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Canonical SMILES
OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC[C@H](Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H](CC3CCCCC3)NC(=O)c3ccno3)C3CCCCC3)nn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O
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Compound Formula C71H112F3N15O22
Compound Structure
Protein Name
Proteinase-activated receptor 2
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Protease-activated receptor
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Protease-activated receptor
Uniprot ID
P55085
Gene Name
F2RL1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000213 EA.hy 926 Homo sapiens (Human)  1
1
EC50 = 880 nM
   TI
   LI
   LO
   TS
CL000749 HUVEC-C Homo sapiens (Human)  1
1
EC50 = 1000 nM
   TI
   LI
   LO
   TS