Details of the Probe

General Information of Probe

Probe ID
LDPC0332
Probe Name
C079
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 292.383
Lipid-water partition coefficient (xlogp) 1.1774
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H24N4O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])OC([H])(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C15H24N4O2/c1-4-5-8-15(17-18-15)9-10-16-14(20)13-7-6-12(21-13)11-19(2)3/h1,12-13H,5-11H2,2-3H3,(H,16,20)/t12-,13+/m0/s1
InChIKey
YGDDHWUEWXSOOR-QWHCGFSZSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

10 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 5.28  LDD1772 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 5.28  LDD1772 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.17  LDD1772 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.17  LDD1772 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 9.85  LDD1772 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 9.85  LDD1772 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 5.24  LDD1772 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 5.24  LDD1772 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.70  LDD1772 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.70  LDD1772 
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⏷ Show the Full List of 10 Enzyme
2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 6.77  LDD1772 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 6.77  LDD1772 
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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
 LDD1772 
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