Brief Information of the Compound and Protein
Compound Name
(S)-2-((2S,5S,8S,11R,14R)-2-((1H-indol-3-yl)methyl)-8-(2-amino-2-oxoethyl)-14-benzyl-5-((R)-1-hydroxyethyl)-11-(2-mercaptopropan-2-yl)-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaheptadecanamido)-N1-((R)-1-((S)-1-((S)-1-(1-((S)-1-((S)-4-amino-1-((S)-1,4-diamino-1,4-dioxobutan-2-ylamino)-1,4-dioxobutan-2-ylamino)-1-oxo-5-ureidopentan-2-ylcarbamoyl)cyclohexylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-ylamino)-3-(4-methoxyphenyl)-1-oxopropan-2-ylamino)-3-mercapto-3-methyl-1-oxobutan-2-yl)pentanediamide
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PubChem ID
CID: 155511814
Canonical SMILES
COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(C)=O)C(C)(C)S)[C@@H](C)O)C(C)(C)S)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NC2(C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)CCCCC2)cc1
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Compound Formula C89H119N21O21S2
Compound Structure
Protein Name
Interleukin-23 receptor
Protein Classification
Unclassified protein
Uniprot ID
Q5VWK5
Gene Name
IL23R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000860 NK Homo sapiens (Human)  1
1
IC50 < 10 nM
   TI
   LI
   LO
   TS