Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0086
Competitor Name
EN4
Synonyms
1197824-15-9; N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide; EN4; 4-(acrylamidomethyl)-N-(2-(4-ethoxyphenoxy)phenyl)benzamide; N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enamido)methyl]benzamide; EN4 MYC inhibitor; EN4?; SCHEMBL21392882; EX-A4996; s9807; AKOS040759644; MCULE-7111494583; MS-27247; HY-134761; CS-0148701; G13836; EN300-1709066; Z786037886; N-[2-(4-ethoxyphenoxy)phenyl]-4-(prop-2-enamidomethyl)benzamide; Benzamide, N-[2-(4-ethoxyphenoxy)phenyl]-4-[[(1-oxo-2-propen-1-yl)amino]methyl]-; benzamide,n-(2-(4-ethoxyphenoxy)phenyl)-4-(((1-oxo-2-propen-1-yl)amino)methyl)-
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 416.5
Lipid-water partition coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C25H24N2O4
IUPAC Name
N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide
Canonical SMILES
CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C
InChI
InChI=1S/C25H24N2O4/c1-3-24(28)26-17-18-9-11-19(12-10-18)25(29)27-22-7-5-6-8-23(22)31-21-15-13-20(14-16-21)30-4-2/h3,5-16H,1,4,17H2,2H3,(H,26,28)(H,27,29)
InChIKey
DKOWGKKELPCHEG-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
IA-alkyne
 Probe Info  		100 uM Human breast cancer cells (231MFP) [1]

Target(s) List of this Competitor

2 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Exportin-5 (XPO5) LDTP12142 6.92  LDD0194 
Integrin alpha-6 (ITGA6) LDTP03211 3.95  LDD0194 
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1 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Transcription factor Jun (JUN) LDTP02111 4.73  LDD0194 
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5 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin-binding protein WASF2 (WASF2) LDTP14298 3.11  LDD0194 
Alpha-actinin-4 (ACTN4) LDTP00843 5.56  LDD0194 
Chromobox protein homolog 3 (CBX3) LDTP05778 3.78  LDD0194 
Protein HEG homolog 1 (HEG1) LDTP13552 3.28  LDD0194 
Protein S100-A11 (S100A11) LDTP03620 4.60  LDD0194 
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Full Information of The Labelling Profiles of This Competitor

IA-alkyne
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method LFQ
Competitor Name EN4
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Breast
Disease Model Breast cancer [ICD-11:2C82]
Model Name Human breast cancer cells (231MFP)
Interaction Atlas ID  LDD0194  Download The Altas

References

1 Discovery of a Functional Covalent Ligand Targeting an Intrinsically Disordered Cysteine within MYC. Cell Chem Biol. 2021 Jan 21;28(1):4-13.e17. doi: 10.1016/j.chembiol.2020.09.001. Epub 2020 Sep 22.