Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R,6S,9S,12S,15S,18S,24S,27S,30S,33S,36S,39S,42R)-33-(2-amino-2-oxoethyl)-15,27-bis(3-carbamimidamidopropyl)-30-[(1R)-1-hydroxyethyl]-24-(hydroxymethyl)-9,36,42-tris[(4-hydroxyphenyl)methyl]-6,12,18-tris(1H-indol-3-ylmethyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-39-propan-2-yl-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecazacyclopentatetracontane-3-carboxamide
    Show/Hide
 PubChem ID
CID: 145977546
Canonical SMILES
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)[C@@H](C)O)C(N)=O
    Show/Hide
Compound Formula C95H119N25O21S
Compound Structure
Protein Name
 Protein Info 
Lysine-specific demethylase 4A
Protein Classification
Epigenetic regulator
>
Reader
>
Methyl-lysine/arginine binding protein
>
Tudor domain
Uniprot ID
O75164
Gene Name
KDM4A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS