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

6 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Lipid droplet-associated hydrolase (LDAH) LDTP16007 6.32  LDD1826 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 6.32  LDD1826 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.06  LDD1826 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.06  LDD1826 
Pirin (PIR) LDTP00325 5.35  LDD1826 
Pirin (PIR) LDTP00325 5.35  LDD1826 
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⏷ Show the Full List of 6 Enzyme
8 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 carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.13  LDD1826 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.82  LDD1826 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.82  LDD1826 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 9.71  LDD1826 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 9.71  LDD1826 
Translocator protein (TSPO) LDTP03546 8.28  LDD1826 
Translocator protein (TSPO) LDTP03546 8.28  LDD1826 
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⏷ Show the Full List of 8 Transporter and channel

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