General Information of Probe

Probe ID
LDPC0295
Probe Name
C035
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 322.412
Lipid-water partition coefficient (xlogp) 3.3592
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H22N4O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])n2c([H])c([H])c3c([H])c([H])c([H])c([H])c32)N=N1
InChI
InChI=1S/C19H22N4O/c1-3-4-10-19(21-22-19)11-12-20-18(24)15(2)14-23-13-9-16-7-5-6-8-17(16)23/h1,5-9,13,15H,4,10-12,14H2,2H3,(H,20,24)/t15-/m0/s1
InChIKey
IPFHWUHSCKTOHD-HNNXBMFYSA-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
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 17.75  LDD1735 
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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

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