Brief Information of the Compound and Protein
Compound Name
(S)-N1-((2R,3S,6S,9S,12R,15S,18S,21S,24S,27S,39R)-21-((1H-imidazol-5-yl)methyl)-6,18-bis((1H-indol-3-yl)methyl)-43-amino-9-(3-amino-3-oxopropyl)-24-(aminomethyl)-27-benzyl-39-carbamoyl-2-hydroxy-15-(4-hydroxybenzyl)-12-(mercaptomethyl)-4,7,10,13,16,19,22,25,28,31,37-undecaoxo-35-oxa-5,8,11,14,17,20,23,26,29,32,38-undecaazatritetracontan-3-yl)-2-((R)-2-acetamido-3-mercaptopropanamido)pentanediamide
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PubChem ID
CID: 155548167
Canonical SMILES
CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](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](Cc1cnc[nH]1)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)[C@@H](C)O
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Compound Formula C83H111N23O20S2
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 = 59 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 49 nM