Details of the Probe

General Information of Probe

Probe ID
LDPC0179
Probe Name
EN219-alkyne
Synonyms
EN219-alkyne
Probe Type
ABPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 488.8
Lipid-water partition coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H19BrClN3O3
IUPAC Name
2-[4-[5-(4-bromophenyl)-2-(2-chloroacetyl)-3,4-dihydropyrazol-3-yl]phenoxy]-N-prop-2-ynylacetamide
Canonical SMILES
C#CCNC(=O)COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCl)C3=CC=C(C=C3)Br
InChI
InChI=1S/C22H19BrClN3O3/c1-2-11-25-21(28)14-30-18-9-5-16(6-10-18)20-12-19(26-27(20)22(29)13-24)15-3-7-17(23)8-4-15/h1,3-10,20H,11-14H2,(H,25,28)
InChIKey
FGJLZQWWDKBXBM-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

6 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 3.52  LDD0298 
Heme oxygenase 2 (HMOX2) LDTP03540 3.85  LDD0297 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 4.02  LDD0297 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 3.94  LDD0297 
Phospholipid hydroperoxide glutathione peroxidase GPX4 (GPX4) LDTP03831 3.66  LDD0297 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 5.03  LDD0297 
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⏷ Show the Full List of 6 Enzyme
1 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Transmembrane protein 245 (TMEM245) LDTP15979 3.65  LDD0297 
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4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 2 (ACAP2) LDTP06302 5.75  LDD0297 
Peroxiredoxin-like 2A (PRXL2A) LDTP11140 4.85  LDD0297 
Reticulon-3 (RTN3) LDTP01522 3.39  LDD0297 
Reticulon-4 (RTN4) LDTP12412 3.37  LDD0297 
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Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0100  EN219 20 uM Human breast cancer cell lysate (231MFP) [1]

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs DMSO
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
2 uM
Quantitative Method
TMT
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Breast
Disease Model
Breast cancer [ICD-11:2C82]
Model Name
Human breast cancer cell lysate (231MFP)
Interaction Atlas ID
 LDD0297 
Download The Altas
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
2 uM
Quantitative Method
TMT
Competitor Name
EN219
 Competitor Info 
Competitor Concentration
20 uM
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Breast
Disease Model
Breast cancer [ICD-11:2C82]
Model Name
Human breast cancer cell lysate (231MFP)
Interaction Atlas ID
 LDD0298 
Download The Altas

References

1 Chemoproteomics-enabled discovery of covalent RNF114-based degraders that mimic natural product function. Cell Chem Biol. 2021 Apr 15;28(4):559-566.e15. doi: 10.1016/j.chembiol.2021.01.005. Epub 2021 Jan 28.