Details of the Probe

General Information of Probe

Probe ID
LDPC0215
Probe Name
ILS-2
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 364.441
Lipid-water partition coefficient (xlogp) 2.7843
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H24O4
Canonical SMILES
C#Cc1cccc(OC2C3=C(C)C4(CC4)C(C)(O)C(=O)C3=CC2(C)CO)c1
InChI
InChI=1S/C23H24O4/c1-5-15-7-6-8-16(11-15)27-20-18-14(2)23(9-10-23)22(4,26)19(25)17(18)12-21(20,3)13-24/h1,6-8,11-12,20,24,26H,9-10,13H2,2-4H3/t20-,21-,22-/m0/s1
InChIKey
ADRDQIVLCYJVMU-FKBYEOEOSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

10 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 4.13  LDD0416 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 4.13  LDD0416 
Cathepsin D (CTSD) LDTP02198 3.69  LDD0416 
Cathepsin D (CTSD) LDTP02198 3.69  LDD0416 
Cytochrome b5 type B (CYB5B) LDTP00697 4.50  LDD0416 
Cytochrome b5 type B (CYB5B) LDTP00697 4.50  LDD0416 
Heme oxygenase 2 (HMOX2) LDTP03540 3.16  LDD0416 
Heme oxygenase 2 (HMOX2) LDTP03540 3.16  LDD0416 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 2.44  LDD0416 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 2.44  LDD0416 
------------------------------------------------------------------------------------
⏷ Show the Full List of 10 Enzyme
2 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 3.53  LDD0416 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 3.53  LDD0416 
------------------------------------------------------------------------------------
2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Reticulon-4 (RTN4) LDTP12412 2.40  LDD0416 
Reticulon-4 (RTN4) LDTP12412 2.40  LDD0416 
------------------------------------------------------------------------------------

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
3 uM
Quantitative Method
SILAC
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Lung
Disease Model
Lung adenocarcinoma [ICD-11:2C25]
Model Name
Human lung adenocarcinoma cells (A-549)
Interaction Atlas ID
 LDD0416 
Download The Altas

References

1 A Chemical Proteomic Analysis of Illudin-Interacting Proteins. Chemistry. 2019 Sep 25;25(54):12644-12651. doi: 10.1002/chem.201902919. Epub 2019 Sep 3.
Mass spectrometry data entry: PXD014175