Details of the Probe

General Information of Probe

Probe ID
LDPC0352
Probe Name
C105
Synonyms
Z3433405279
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.4
Lipid-water partition coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H22N4O3
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(3-methyl-1,2-oxazol-5-yl)oxane-4-carboxamide
Canonical SMILES
CC1=NOC(=C1)C2(CCOCC2)C(=O)NCCC3(N=N3)CCC#C
InChI
InChI=1S/C17H22N4O3/c1-3-4-5-17(20-21-17)6-9-18-15(22)16(7-10-23-11-8-16)14-12-13(2)19-24-14/h1,12H,4-11H2,2H3,(H,18,22)
InChIKey
MEYFJTUGIGCRFU-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
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 6.73  LDD1792 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 7.21  LDD1792 
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3 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.23  LDD1792 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.32  LDD1792 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 6.68  LDD1792 
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1 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Tetratricopeptide repeat protein 21B (TTC21B) LDTP08073 5.06  LDD1792 
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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
 LDD1792 
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