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

2 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Dihydrofolate reductase (DHFR) LDTP01769 6.59  LDD2031 
Squalene synthase (FDFT1) LDTP03842 7.62  LDD2031 
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4 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 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.03  LDD2031 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 18.38  LDD2031 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 4.92  LDD2031 
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1 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
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