Brief Information of the Compound and Protein
Compound Name
methyl (2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-hydroxyphenoxy)butanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
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Canonical SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)COc1ccc(O)cc1
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Compound Formula C28H36N4O7
Compound Structure
Protein Name
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 259 nM
   TI
   LI
   LO
   TS
CL000107 HEK293S Homo sapiens (Human)  1
1
IC50 = 6.5 nM
   TI
   LI
   LO
   TS