Details of the Probe

General Information of Probe

Probe ID
LDPC0488
Probe Name
C255
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 336.417
Lipid-water partition coefficient (xlogp) 2.6932
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C15H20N4O3S
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(c2c(OC([H])([H])[H])nsc2OC([H])([H])[H])C([H])([H])[H])N=N1
InChI
InChI=1S/C15H20N4O3S/c1-5-6-8-15(18-19-15)9-7-11(20)16-10(2)12-13(21-3)17-23-14(12)22-4/h1,10H,6-9H2,2-4H3,(H,16,20)/t10-/m0/s1
InChIKey
LZZJPWJCGVZGOE-JTQLQIEISA-N

The Probe Interaction Atlas

Target(s) List of this Probe

18 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 32.90  LDD1928 
Beta-galactosidase (GLB1) LDTP02837 5.17  LDD1928 
Choline kinase alpha (CHKA) LDTP03787 13.55  LDD1928 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 7.21  LDD1928 
Dihydrofolate reductase (DHFR) LDTP01769 32.22  LDD1928 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 6.11  LDD1928 
Glyoxalase domain-containing protein 4 (GLOD4) LDTP16040 7.57  LDD1928 
Heme oxygenase 1 (HMOX1) LDTP02359 10.70  LDD1928 
Heme oxygenase 2 (HMOX2) LDTP03540 27.67  LDD1928 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 8.94  LDD1928 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.78  LDD1928 
Lysosomal protective protein (CTSA) LDTP02505 7.52  LDD1928 
Phospholipase A2 group XV (PLA2G15) LDTP09088 10.56  LDD1928 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.31  LDD1928 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.06  LDD1928 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform (PPP2R5C) LDTP05841 13.83  LDD1928 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 20.82  LDD1928 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 9.38  LDD1928 
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⏷ Show the Full List of 18 Enzyme
11 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 17.63  LDD1928 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 5.39  LDD1928 
Lysosome membrane protein 2 (SCARB2) LDTP06034 9.25  LDD1928 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 6.02  LDD1928 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 14.72  LDD1928 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 5.70  LDD1928 
Protein GPR107 (GPR107) LDTP07236 5.98  LDD1928 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 8.57  LDD1928 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 6.68  LDD1928 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 23.26  LDD1928 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 20.39  LDD1928 
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⏷ Show the Full List of 11 Transporter and channel
16 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 6.02  LDD1928 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.35  LDD1928 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 5.54  LDD1928 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.58  LDD1928 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 5.06  LDD1928 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.19  LDD1928 
Protein unc-119 homolog B (UNC119B) LDTP00105 8.57  LDD1928 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 7.62  LDD1928 
RNA-binding protein with multiple splicing (RBPMS) LDTP09970 5.46  LDD1928 
Sorting nexin-9 (SNX9) LDTP14172 10.63  LDD1928 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 7.78  LDD1928 
Trophoblast glycoprotein (TPBG) LDTP05960 7.41  LDD1928 
Tubulin beta-2A chain (TUBB2A) LDTP05998 6.63  LDD1928 
Tubulin beta-2B chain (TUBB2B) LDTP11277 15.89  LDD1928 
Tubulin beta-4A chain (TUBB4A) LDTP02037 5.24  LDD1928 
Tubulin beta-4B chain (TUBB4B) LDTP05076 7.06  LDD1928 
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⏷ Show the Full List of 16 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
 LDD1928 
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