Details of the Probe

General Information of Probe

Probe ID
LDPC0480
Probe Name
C247
Synonyms
Z3066853377
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.31
Lipid-water partition coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C14H17F3N4O2
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NC2CC(=O)N(C2)CC(F)(F)F
InChI
InChI=1S/C14H17F3N4O2/c1-2-3-5-13(19-20-13)6-4-11(22)18-10-7-12(23)21(8-10)9-14(15,16)17/h1,10H,3-9H2,(H,18,22)
InChIKey
DMRCPOBYUQIMFL-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 8.57  LDD1920 
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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
 LDD1920 
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