Details of the Probe

General Information of Probe

Probe ID
LDPC0489
Probe Name
C256
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 324.406
Lipid-water partition coefficient (xlogp) 0.4922
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H20N4O3S
Canonical SMILES
C#CCCC1(CCNC(=O)C2C3CCN(CC3)S2(=O)=O)N=N1
InChI
InChI=1S/C14H20N4O3S/c1-2-3-6-14(16-17-14)7-8-15-13(19)12-11-4-9-18(10-5-11)22(12,20)21/h1,11-12H,3-10H2,(H,15,19)
InChIKey
ZNLKISUQWBXZQW-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

12 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.28  LDD1929 
Ceramide synthase 2 (CERS2) LDTP10329 6.45  LDD1929 
Choline kinase alpha (CHKA) LDTP03787 10.48  LDD1929 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.21  LDD1929 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.24  LDD1929 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 11.16  LDD1929 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 4.96  LDD1929 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.77  LDD1929 
Prostaglandin reductase 2 (PTGR2) LDTP08979 6.32  LDD1929 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.13  LDD1929 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.17  LDD1929 
TLC domain-containing protein 1 (TLCD1) LDTP10182 8.34  LDD1929 
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⏷ Show the Full List of 12 Enzyme
5 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 5.24  LDD1929 
Metaxin-1 (MTX1) LDTP05900 14.52  LDD1929 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.43  LDD1929 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.28  LDD1929 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 5.03  LDD1929 
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4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.46  LDD1929 
Neuferricin (CYB5D2) LDTP15623 11.63  LDD1929 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.21  LDD1929 
Trophoblast glycoprotein (TPBG) LDTP05960 5.54  LDD1929 
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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
 LDD1929 
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