Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4R,8S,11S)-11-amino-N-[[2-(2-amino-2-oxoethyl)phenyl]methyl]-8-[(4-fluorophenyl)methyl]-6,10-dioxo-1,2-dithia-5,9-diazacyclotridecane-4-carboxamide
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Canonical SMILES
N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(F)cc2)NC1=O)C(=O)NCc1ccccc1CC(N)=O
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Compound Formula C26H32FN5O4S2
Compound Structure
Protein Name
 Protein Info 
Interleukin-1 receptor antagonist protein
Protein Classification
Unclassified protein
Uniprot ID
P18510
Gene Name
IL1RN
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 330 nM
   TI
   LI
   LO
   TS
2
Ki = 200.5 nM
   TI
   LI
   LO
   TS