Brief Information of the Compound and Protein
Compound Name
(3S,6S,9S,12S,15S,21S)-1-((3R,6S,9S,12S,15S,18S)-9-((1H-indol-3-yl)methyl)-18-acetamido-6,15-bis(3-amino-3-oxopropyl)-12-((R)-1-hydroxyethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl)-12-(4-acetamidobutyl)-15-(2-amino-2-oxoethyl)-9-(4-aminobutyl)-21-carbamoyl-3-(4-methoxybenzyl)-9-methyl-6-(naphthalen-2-ylmethyl)-1,4,7,10,13,16,19-heptaoxo-2,5,8,11,14,17,20-heptaazatetracosan-24-oic acid
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PubChem ID
CID: 155533140
Canonical SMILES
COc1ccc(C[C@H](NC(=O)[C@@H]2CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCC(N)=O)C(=O)N2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@](C)(CCCCN)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(N)=O)cc1
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Compound Formula C83H114N20O22S
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
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 25 nM