Brief Information of the Compound and Protein
Compound Name
(S)-N1-((2R,3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33R)-6-((1H-indol-3-yl)methyl)-24-(4-acetamidobutyl)-33,37-diamino-27,30-bis(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-2-hydroxy-21-isopropyl-12-(2-mercaptopropan-2-yl)-15-(4-methoxybenzyl)-21-methyl-18-(naphthalen-2-ylmethyl)-4,7,10,13,16,19,22,25,28,31-decaoxo-5,8,11,14,17,20,23,26,29,32-decaazaheptatriacontan-3-yl)-2-((R)-2-acetamido-3-mercapto-3-methylbutanamido)pentanediamide
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PubChem ID
CID: 155510779
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](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)(C)S)[C@@H](C)O)C(C)(C)S)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@](C)(C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](N)CCCCN)C(C)C)cc1
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Compound Formula C87H127N21O20S2
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 < 10 nM
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