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

8 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Heme oxygenase 1 (HMOX1) LDTP02359 5.94  LDD1770 
Heme oxygenase 1 (HMOX1) LDTP02359 5.94  LDD1770 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.73  LDD1770 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.73  LDD1770 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.03  LDD1770 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.03  LDD1770 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.06  LDD1770 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.06  LDD1770 
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⏷ Show the Full List of 8 Enzyme
14 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 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 12.30  LDD1770 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.21  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-A (TIMM17A) LDTP10913 6.19  LDD1770 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.06  LDD1770 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.06  LDD1770 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.03  LDD1770 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.03  LDD1770 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 8.06  LDD1770 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 8.06  LDD1770 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 4.99  LDD1770 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 4.99  LDD1770 
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⏷ Show the Full List of 14 Transporter and channel
4 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 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 10.63  LDD1770 
Nucleobindin-2 (NUCB2) LDTP05160 6.23  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