Details of the Probe

General Information of Probe

Probe ID
LDPC0330
Probe Name
C075
Synonyms
Z4282860704
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 315.33
Lipid-water partition coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H20F3N3O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]propanamide
Canonical SMILES
CC1(CC1C(C(F)(F)F)NC(=O)CCC2(N=N2)CCC#C)C
InChI
InChI=1S/C15H20F3N3O/c1-4-5-7-14(20-21-14)8-6-11(22)19-12(15(16,17)18)10-9-13(10,2)3/h1,10,12H,5-9H2,2-3H3,(H,19,22)
InChIKey
RFKAHPMUEQPIED-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
Heme oxygenase 1 (HMOX1) LDTP02359 5.94  LDD1770 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.73  LDD1770 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.03  LDD1770 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.06  LDD1770 
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7 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 12.30  LDD1770 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.21  LDD1770 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 6.19  LDD1770 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.06  LDD1770 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.03  LDD1770 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 8.06  LDD1770 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 4.99  LDD1770 
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⏷ Show the Full List of 7 Transporter and channel
2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 10.63  LDD1770 
Nucleobindin-2 (NUCB2) LDTP05160 6.23  LDD1770 
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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
 LDD1770 
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