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

24 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.28  LDD1929 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.28  LDD1929 
Ceramide synthase 2 (CERS2) LDTP10329 6.45  LDD1929 
Ceramide synthase 2 (CERS2) LDTP10329 6.45  LDD1929 
Choline kinase alpha (CHKA) LDTP03787 10.48  LDD1929 
Choline kinase alpha (CHKA) LDTP03787 10.48  LDD1929 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.21  LDD1929 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.21  LDD1929 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.24  LDD1929 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.24  LDD1929 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 11.16  LDD1929 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 11.16  LDD1929 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 4.96  LDD1929 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 4.96  LDD1929 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.77  LDD1929 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.77  LDD1929 
Prostaglandin reductase 2 (PTGR2) LDTP08979 6.32  LDD1929 
Prostaglandin reductase 2 (PTGR2) LDTP08979 6.32  LDD1929 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.13  LDD1929 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.13  LDD1929 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.17  LDD1929 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.17  LDD1929 
TLC domain-containing protein 1 (TLCD1) LDTP10182 8.34  LDD1929 
TLC domain-containing protein 1 (TLCD1) LDTP10182 8.34  LDD1929 
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⏷ Show the Full List of 24 Enzyme
10 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 
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 5.24  LDD1929 
Metaxin-1 (MTX1) LDTP05900 14.52  LDD1929 
Metaxin-1 (MTX1) LDTP05900 14.52  LDD1929 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.43  LDD1929 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.43  LDD1929 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.28  LDD1929 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.28  LDD1929 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 5.03  LDD1929 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 5.03  LDD1929 
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⏷ Show the Full List of 10 Transporter and channel
8 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.46  LDD1929 
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.46  LDD1929 
Neuferricin (CYB5D2) LDTP15623 11.63  LDD1929 
Neuferricin (CYB5D2) LDTP15623 11.63  LDD1929 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.21  LDD1929 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.21  LDD1929 
Trophoblast glycoprotein (TPBG) LDTP05960 5.54  LDD1929 
Trophoblast glycoprotein (TPBG) LDTP05960 5.54  LDD1929 
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⏷ Show the Full List of 8 Other

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