Brief Information of the Compound and Protein
Compound Name
(2S,5S,8S,11S,14S,17S,20S,23S,26S)-26-((6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,39S,40R)-27-((1H-indol-3-yl)methyl)-1-amino-12,24-bis(3-amino-3-oxopropyl)-35-(2-aminoethylsulfonyl)-18-benzyl-39-carbamoyl-15-(carboxymethyl)-40-hydroxy-1-imino-30,33-diisobutyl-21-isopropyl-9-methyl-7,10,13,16,19,22,25,28,31,37-decaoxo-2,8,11,14,17,20,23,26,29,32,35,38-dodecaazahentetracontan-6-ylcarbamoyl)-2-((2S,5S,8S,11S,17S,23S)-23-amino-17-(3-amino-3-oxopropyl)-8-benzyl-5,11-bis((R)-1-hydroxyethyl)-2-(hydroxymethyl)-24-(1H-imidazol-5-yl)-20,20-dimethyl-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazatetracosanamido)-11-(4-aminobutyl)-20-(carboxymethyl)-5,14-bis(4-hydroxybenzyl)-8,23-bis(hydroxymethyl)-17-isobutyl-3,6,9,12,15,18,21,24,32,41,50,55-dodecaoxo-34,37,43,46-tetraoxa-4,7,10,13,16,19,22,25,31,40,49,54-dodecaazahenheptacontane-1,53,71-tricarboxylic acid
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PubChem ID
CID: 166627256
Canonical SMILES
CC(C)C[C@@H](CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)S(=O)(=O)CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C
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Compound Formula C190H295N45O59S
Compound Structure
Protein Name
Glucocorticoid receptor
Protein Classification
Transcription factor
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Nuclear receptor
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Nuclear hormone receptor subfamily 3
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Nuclear hormone receptor subfamily 3 group C
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Nuclear hormone receptor subfamily 3 group C member 1
Uniprot ID
P04150
Gene Name
NR3C1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4.15 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 12.63 nM
   TI
   LI
   LO
   TS