Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-3-(4-(4-(4-nitrophenyl)piperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
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 PubChem ID
CID: 44446222
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C(O)=O
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Compound Formula C31H35N5O7S
Compound Structure
Protein Name
 Protein Info 
Integrin alpha-4
Protein Classification
Membrane receptor
Uniprot ID
P13612
Gene Name
ITGA4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 143 nM
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