Details of the Probe

General Information of Probe

Probe ID
LDPC0474
Probe Name
C241
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 328.416
Lipid-water partition coefficient (xlogp) 2.1459
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H24N4O2
Canonical SMILES
C#CCCC1(CCC(=O)NC23CC(N4CCCCC4=O)(C2)C3)N=N1
InChI
InChI=1S/C18H24N4O2/c1-2-3-8-18(20-21-18)9-7-14(23)19-16-11-17(12-16,13-16)22-10-5-4-6-15(22)24/h1H,3-13H2,(H,19,23)
InChIKey
PMYMGCWMOZQPTG-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

12 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ceramide synthase 1 (CERS1) LDTP03394 5.78  LDD1914 
Ceramide synthase 1 (CERS1) LDTP03394 5.78  LDD1914 
Glutathione S-transferase A4 (GSTA4) LDTP00575 6.41  LDD1914 
Glutathione S-transferase A4 (GSTA4) LDTP00575 6.41  LDD1914 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 22.16  LDD1914 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 22.16  LDD1914 
Prostaglandin reductase 2 (PTGR2) LDTP08979 7.41  LDD1914 
Prostaglandin reductase 2 (PTGR2) LDTP08979 7.41  LDD1914 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 9.65  LDD1914 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 9.65  LDD1914 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.78  LDD1914 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.78  LDD1914 
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⏷ Show the Full List of 12 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 6.73  LDD1914 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.73  LDD1914 
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12 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 10.85  LDD1914 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 10.85  LDD1914 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.94  LDD1914 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.94  LDD1914 
Neuferricin (CYB5D2) LDTP15623 9.25  LDD1914 
Neuferricin (CYB5D2) LDTP15623 9.25  LDD1914 
Protein unc-119 homolog B (UNC119B) LDTP00105 9.13  LDD1914 
Protein unc-119 homolog B (UNC119B) LDTP00105 9.13  LDD1914 
Rab GDP dissociation inhibitor beta (GDI2) LDTP04355 5.28  LDD1914 
Rab GDP dissociation inhibitor beta (GDI2) LDTP04355 5.28  LDD1914 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 4.92  LDD1914 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 4.92  LDD1914 
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⏷ Show the Full List of 12 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
 LDD1914 
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