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

7 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 19.03  LDD2020 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.23  LDD2020 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 5.50  LDD2020 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.78  LDD2020 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 7.06  LDD2020 
Prostaglandin reductase 3 (PTGR3) LDTP15422 26.35  LDD2020 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 8.06  LDD2020 
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⏷ Show the Full List of 7 Enzyme
1 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 
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1 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 
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3 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Large ribosomal subunit protein mL64 (GADD45GIP1) LDTP09297 6.23  LDD2020 
Neuferricin (CYB5D2) LDTP15623 8.63  LDD2020 
Protein unc-119 homolog B (UNC119B) LDTP00105 8.94  LDD2020 
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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