Details of the Probe

General Information of Probe

Probe ID
LDPC0481
Probe Name
C248
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 321.421
Lipid-water partition coefficient (xlogp) 2.0244
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H27N3O3
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C2(O[H])C([H])([H])C([H])(OC([H])([H])C([H])([H])[H])C2(C([H])([H])[H])C([H])([H])[H])N=N1
InChI
InChI=1S/C17H27N3O3/c1-5-7-9-17(19-20-17)10-8-14(21)18-12-16(22)11-13(23-6-2)15(16,3)4/h1,13,22H,6-12H2,2-4H3,(H,18,21)/t13-,16-/m0/s1
InChIKey
UCSIZNKRAYUSBJ-BBRMVZONSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

1 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  LDD1921 
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1 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 9.78  LDD1921 
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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
 LDD1921 
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