Details of the Probe

General Information of Probe

Probe ID
LDPC0216
Probe Name
ILS-1 PP
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 398.459
Lipid-water partition coefficient (xlogp) 2.2328
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H26N2O5
Canonical SMILES
C#CCCC1(CC(=O)OCC2(C)C=C3C(=O)C(C)(O)C4(CC4)C(C)=C3C2O)N=N1
InChI
InChI=1S/C22H26N2O5/c1-5-6-7-22(23-24-22)11-15(25)29-12-19(3)10-14-16(18(19)27)13(2)21(8-9-21)20(4,28)17(14)26/h1,10,18,27-28H,6-9,11-12H2,2-4H3/t18-,19+,20+/m1/s1
InChIKey
NWBYPHHSDMMZRO-AABGKKOBSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

13 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.94  LDD0417 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 2.79  LDD0417 
Cathepsin D (CTSD) LDTP02198 8.40  LDD0417 
Choline kinase alpha (CHKA) LDTP03787 3.82  LDD0417 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 2.40  LDD0417 
Glucosidase 2 subunit beta (PRKCSH) LDTP02718 2.17  LDD0417 
Heme oxygenase 1 (HMOX1) LDTP02359 2.53  LDD0417 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 8.96  LDD0417 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.71  LDD0417 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 2.25  LDD0417 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 2.09  LDD0417 
Ras-related protein Rab-11B (RAB11B) LDTP06501 2.85  LDD0417 
Serum paraoxonase/lactonase 3 (PON3) LDTP06334 5.62  LDD0417 
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⏷ Show the Full List of 13 Enzyme
7 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Heme transporter FLVCR1 (FLVCR1) LDTP14178 2.33  LDD0417 
Integrin beta-1 (ITGB1) LDTP02122 2.13  LDD0417 
Lysosome membrane protein 2 (SCARB2) LDTP06034 2.99  LDD0417 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 2.45  LDD0417 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 4.62  LDD0417 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 4.99  LDD0417 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 4.16  LDD0417 
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⏷ Show the Full List of 7 Transporter and channel
8 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Calumenin (CALU) LDTP00887 2.21  LDD0417 
Caveolae-associated protein 1 (CAVIN1) LDTP07495 3.96  LDD0417 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 2.34  LDD0417 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.43  LDD0417 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 2.61  LDD0417 
Prohibitin-2 (PHB2) LDTP10924 2.68  LDD0417 
Small ribosomal subunit protein eS7 (RPS7) LDTP04958 2.99  LDD0417 
Synapse-associated protein 1 (SYAP1) LDTP10062 2.07  LDD0417 
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⏷ Show the Full List of 8 Other

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
 LDD0417 
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