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

5 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 4.13  LDD0416 
Cathepsin D (CTSD) LDTP02198 3.69  LDD0416 
Cytochrome b5 type B (CYB5B) LDTP00697 4.50  LDD0416 
Heme oxygenase 2 (HMOX2) LDTP03540 3.16  LDD0416 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 2.44  LDD0416 
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1 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 
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1 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Reticulon-4 (RTN4) LDTP12412 2.40  LDD0416 
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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