Details of the Probe

General Information of Probe

Probe ID
LDPC0494
Probe Name
C262
Synonyms
Z4225934402
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 362.4
Lipid-water partition coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H20F2N4O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2,4-difluoro-5-(2-methylpropanoylamino)benzamide
Canonical SMILES
CC(C)C(=O)NC1=C(C=C(C(=C1)C(=O)NCCC2(N=N2)CCC#C)F)F
InChI
InChI=1S/C18H20F2N4O2/c1-4-5-6-18(23-24-18)7-8-21-17(26)12-9-15(14(20)10-13(12)19)22-16(25)11(2)3/h1,9-11H,5-8H2,2-3H3,(H,21,26)(H,22,25)
InChIKey
QFLRAFUNEZEXAB-UHFFFAOYSA-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
Translocator protein (TSPO) LDTP03546 5.94  LDD1934 
------------------------------------------------------------------------------------
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 5.21  LDD1934 
------------------------------------------------------------------------------------

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
 LDD1934 
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