Details of the Probe

General Information of Probe

Probe ID
LDPC0591
Probe Name
C370
Synonyms
Z4225936020
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 284.36
Lipid-water partition coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H20N4O
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-pyridin-4-ylbutanamide
Canonical SMILES
CC(CC(=O)NCCC1(N=N1)CCC#C)C2=CC=NC=C2
InChI
InChI=1S/C16H20N4O/c1-3-4-7-16(19-20-16)8-11-18-15(21)12-13(2)14-5-9-17-10-6-14/h1,5-6,9-10,13H,4,7-8,11-12H2,2H3,(H,18,21)
InChIKey
ZNLPDWJJRCNNGV-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

4 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Dihydrofolate reductase (DHFR) LDTP01769 6.59  LDD2031 
Dihydrofolate reductase (DHFR) LDTP01769 6.59  LDD2031 
Squalene synthase (FDFT1) LDTP03842 7.62  LDD2031 
Squalene synthase (FDFT1) LDTP03842 7.62  LDD2031 
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8 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.06  LDD2031 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.06  LDD2031 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.03  LDD2031 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.03  LDD2031 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 18.38  LDD2031 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 18.38  LDD2031 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 4.92  LDD2031 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 4.92  LDD2031 
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⏷ Show the Full List of 8 Transporter and channel
2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Large ribosomal subunit protein mL55 (MRPL55) LDTP15269 27.86  LDD2031 
Large ribosomal subunit protein mL55 (MRPL55) LDTP15269 27.86  LDD2031 
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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
 LDD2031 
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