Details of the Probe

General Information of Probe

Probe ID
LDPC0580
Probe Name
C359
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 338.411
Lipid-water partition coefficient (xlogp) 2.7852
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H22N4O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C3(OC([H])([H])c4c([H])c([H])nc([H])c43)C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C19H22N4O2/c1-2-3-6-19(21-22-19)7-4-17(24)23-11-8-18(9-12-23)16-13-20-10-5-15(16)14-25-18/h1,5,10,13H,3-4,6-9,11-12,14H2
InChIKey
QXVHUYXNHTXVEB-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

14 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 19.03  LDD2020 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 19.03  LDD2020 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.23  LDD2020 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.23  LDD2020 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 5.50  LDD2020 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 5.50  LDD2020 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.78  LDD2020 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.78  LDD2020 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 7.06  LDD2020 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 7.06  LDD2020 
Prostaglandin reductase 3 (PTGR3) LDTP15422 26.35  LDD2020 
Prostaglandin reductase 3 (PTGR3) LDTP15422 26.35  LDD2020 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 8.06  LDD2020 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 8.06  LDD2020 
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⏷ Show the Full List of 14 Enzyme
2 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.66  LDD2020 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.66  LDD2020 
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2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, B alpha chain (HLA-B) LDTP01913 5.98  LDD2020 
HLA class I histocompatibility antigen, B alpha chain (HLA-B) LDTP01913 5.98  LDD2020 
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6 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Large ribosomal subunit protein mL64 (GADD45GIP1) LDTP09297 6.23  LDD2020 
Large ribosomal subunit protein mL64 (GADD45GIP1) LDTP09297 6.23  LDD2020 
Neuferricin (CYB5D2) LDTP15623 8.63  LDD2020 
Neuferricin (CYB5D2) LDTP15623 8.63  LDD2020 
Protein unc-119 homolog B (UNC119B) LDTP00105 8.94  LDD2020 
Protein unc-119 homolog B (UNC119B) LDTP00105 8.94  LDD2020 
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⏷ Show the Full List of 6 Other

Full Information of The Labelling Profiles of This Probe

Quantification: AfBPP Probe vs Negative Probe
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
Probe:50uM; negative probe:50uM
Quantitative Method
TMT
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cells (HEK-293T)
Note
Negative probe:C#CCCC1(CCC(NC)=O)N=N1
Interaction Atlas ID
 LDD2020 
Download The Altas

References

1 Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26.
Mass spectrometry data entry: PXD041587