Details of the Probe

General Information of Probe

Probe ID
LDPC0493
Probe Name
C261
Synonyms
AKOS034129662;Z3026367275
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 348.4
Lipid-water partition coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H22F2N4O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]propanamide
Canonical SMILES
CN(C)C(CNC(=O)CCC1(N=N1)CCC#C)C2=C(C=CC=C2F)F
InChI
InChI=1S/C18H22F2N4O/c1-4-5-10-18(22-23-18)11-9-16(25)21-12-15(24(2)3)17-13(19)7-6-8-14(17)20/h1,6-8,15H,5,9-12H2,2-3H3,(H,21,25)
InChIKey
GYSQFWSUKQWSQC-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

5 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 11.88  LDD1933 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 7.46  LDD1933 
Prostaglandin reductase 3 (PTGR3) LDTP15422 7.78  LDD1933 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 8.11  LDD1933 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 8.40  LDD1933 
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4 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 6.77  LDD1933 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 11.39  LDD1933 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 4.99  LDD1933 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.58  LDD1933 
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3 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.36  LDD1933 
Protein unc-119 homolog B (UNC119B) LDTP00105 9.25  LDD1933 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 7.21  LDD1933 
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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
 LDD1933 
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