Details of the Probe

General Information of Probe

Probe ID
LDPC0318
Probe Name
C061
Synonyms
Z3433405617
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 341.4
Lipid-water partition coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H23N3O4S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxan-4-ylsulfonyl)propanamide
Canonical SMILES
CC(C(=O)NCCC1(N=N1)CCC#C)S(=O)(=O)C2CCOCC2
InChI
InChI=1S/C15H23N3O4S/c1-3-4-7-15(17-18-15)8-9-16-14(19)12(2)23(20,21)13-5-10-22-11-6-13/h1,12-13H,4-11H2,2H3,(H,16,19)
InChIKey
MNPJABVRPZCGEL-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

1 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Lipid droplet-associated hydrolase (LDAH) LDTP16007 6.19  LDD1758 
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1 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.02  LDD1758 
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1 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 5.70  LDD1758 
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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
 LDD1758 
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