Brief Information of the Compound and Protein
Compound Name
(5S,8S,11S,14S,17S,20R,23S)-11-((1H-imidazol-5-yl)methyl)-14-((1H-indol-3-yl)methyl)-23-((2S,5S,8S,11R)-2-((1H-indol-3-yl)methyl)-5-((R)-1-hydroxyethyl)-8-(hydroxymethyl)-11-(mercaptomethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-1-amino-5,17-bis(4-hydroxybenzyl)-8-((R)-1-hydroxyethyl)-20-(mercaptomethyl)-1,4,7,10,13,16,19,22-octaoxo-3,6,9,12,15,18,21-heptaazahexacosan-26-oic acid
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PubChem ID
CID: 155552619
Canonical SMILES
CC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)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](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)[C@@H](C)O)[C@@H](C)O
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Compound Formula C72H89N17O20S2
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 = 97 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 181 nM