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

26 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.94  LDD0417 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.94  LDD0417 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 2.79  LDD0417 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 2.79  LDD0417 
Cathepsin D (CTSD) LDTP02198 8.40  LDD0417 
Cathepsin D (CTSD) LDTP02198 8.40  LDD0417 
Choline kinase alpha (CHKA) LDTP03787 3.82  LDD0417 
Choline kinase alpha (CHKA) LDTP03787 3.82  LDD0417 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 2.40  LDD0417 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 2.40  LDD0417 
Glucosidase 2 subunit beta (PRKCSH) LDTP02718 2.17  LDD0417 
Glucosidase 2 subunit beta (PRKCSH) LDTP02718 2.17  LDD0417 
Heme oxygenase 1 (HMOX1) LDTP02359 2.53  LDD0417 
Heme oxygenase 1 (HMOX1) LDTP02359 2.53  LDD0417 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 8.96  LDD0417 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 8.96  LDD0417 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.71  LDD0417 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.71  LDD0417 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 2.25  LDD0417 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 2.25  LDD0417 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 2.09  LDD0417 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 2.09  LDD0417 
Ras-related protein Rab-11B (RAB11B) LDTP06501 2.85  LDD0417 
Ras-related protein Rab-11B (RAB11B) LDTP06501 2.85  LDD0417 
Serum paraoxonase/lactonase 3 (PON3) LDTP06334 5.62  LDD0417 
Serum paraoxonase/lactonase 3 (PON3) LDTP06334 5.62  LDD0417 
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⏷ Show the Full List of 26 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Heme transporter FLVCR1 (FLVCR1) LDTP14178 2.33  LDD0417 
Heme transporter FLVCR1 (FLVCR1) LDTP14178 2.33  LDD0417 
Integrin beta-1 (ITGB1) LDTP02122 2.13  LDD0417 
Integrin beta-1 (ITGB1) LDTP02122 2.13  LDD0417 
Lysosome membrane protein 2 (SCARB2) LDTP06034 2.99  LDD0417 
Lysosome membrane protein 2 (SCARB2) LDTP06034 2.99  LDD0417 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 2.45  LDD0417 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 2.45  LDD0417 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 4.62  LDD0417 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 4.62  LDD0417 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 4.99  LDD0417 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 4.99  LDD0417 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 4.16  LDD0417 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 4.16  LDD0417 
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⏷ Show the Full List of 14 Transporter and channel
16 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Calumenin (CALU) LDTP00887 2.21  LDD0417 
Calumenin (CALU) LDTP00887 2.21  LDD0417 
Caveolae-associated protein 1 (CAVIN1) LDTP07495 3.96  LDD0417 
Caveolae-associated protein 1 (CAVIN1) LDTP07495 3.96  LDD0417 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 2.34  LDD0417 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 2.34  LDD0417 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.43  LDD0417 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.43  LDD0417 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 2.61  LDD0417 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 2.61  LDD0417 
Prohibitin-2 (PHB2) LDTP10924 2.68  LDD0417 
Prohibitin-2 (PHB2) LDTP10924 2.68  LDD0417 
Small ribosomal subunit protein eS7 (RPS7) LDTP04958 2.99  LDD0417 
Small ribosomal subunit protein eS7 (RPS7) LDTP04958 2.99  LDD0417 
Synapse-associated protein 1 (SYAP1) LDTP10062 2.07  LDD0417 
Synapse-associated protein 1 (SYAP1) LDTP10062 2.07  LDD0417 
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⏷ Show the Full List of 16 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