Brief Information of the Compound and Protein
Compound Name
(S)-N1-((2R,5S,8S,11S,14S,17S,29R)-8-((1H-indol-3-yl)methyl)-33-amino-14-(aminomethyl)-11-(3-aminopropyl)-17-benzyl-29-carbamoyl-5-(4-hydroxybenzyl)-1-mercapto-3,6,9,12,15,18,21,27-octaoxo-25-oxa-4,7,10,13,16,19,22,28-octaazatritriacontan-2-yl)-2-((S)-2-((2S,3R)-2-((S)-5-amino-2-((R)-2-amino-3-mercaptopropanamido)-5-oxopentanamido)-3-hydroxybutanamido)-3-(1H-indol-3-yl)propanamido)pentanediamide
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PubChem ID
CID: 155522130
Canonical SMILES
C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCOCC(=O)N[C@H](CCCCN)C(N)=O
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Compound Formula C80H112N22O19S2
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
CL000859 DB Homo sapiens (Human)  1
1
IC50 = 37 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 79 nM