Details of the Probe

General Information of Probe

Probe ID
LDPC0386
Probe Name
C144
Synonyms
Z4286591215
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 327.4
Lipid-water partition coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C11H13N5O3S2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-sulfamoyl-1,3-thiazole-4-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2=C(SC=N2)S(=O)(=O)N
InChI
InChI=1S/C11H13N5O3S2/c1-2-3-4-11(15-16-11)5-6-13-9(17)8-10(20-7-14-8)21(12,18)19/h1,7H,3-6H2,(H,13,17)(H2,12,18,19)
InChIKey
YDAZWUCIYGYVBX-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

3 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Lipid droplet-associated hydrolase (LDAH) LDTP16007 6.32  LDD1826 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.06  LDD1826 
Pirin (PIR) LDTP00325 5.35  LDD1826 
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4 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.13  LDD1826 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.82  LDD1826 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 9.71  LDD1826 
Translocator protein (TSPO) LDTP03546 8.28  LDD1826 
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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
 LDD1826 
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