Brief Information of the Compound and Protein
Compound Name
(3R,6S,9S,12S,15S,18S,24S,27S,30S,33S,36S,39S,42R)-12,33-dibenzyl-18-[(2S)-butan-2-yl]-27,30,36-tris(3-carbamimidamidopropyl)-39-[(1S)-1-hydroxyethyl]-24-(hydroxymethyl)-6,9,42-tris[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-15-propan-2-yl-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecazacyclopentatetracontane-3-carboxamide
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PubChem ID
CID: 145977327
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O)[C@H](C)O
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Compound Formula C88H124N24O20S
Compound Structure
Protein Name
Lysine-specific demethylase 4A
Protein Classification
Epigenetic regulator
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Methyl-lysine/arginine binding protein
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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
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 2.6 nM