Details of the Probe

General Information of Probe

Probe ID
LDPC0563
Probe Name
C340
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 372.473
Lipid-water partition coefficient (xlogp) 2.7539
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C19H28N6O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])N(C([H])(c3nc(C([H])(C([H])([H])[H])C([H])([H])[H])no3)C([H])([H])[H])C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C19H28N6O2/c1-5-6-8-19(22-23-19)9-7-16(26)25-12-10-24(11-13-25)15(4)18-20-17(14(2)3)21-27-18/h1,14-15H,6-13H2,2-4H3/t15-/m0/s1
InChIKey
VOHGZVSEJFPIAA-HNNXBMFYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

13 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 8.94  LDD2003 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 7.01  LDD2003 
Beta-galactosidase (GLB1) LDTP02837 4.96  LDD2003 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 7.62  LDD2003 
Heme oxygenase 1 (HMOX1) LDTP02359 4.96  LDD2003 
Heme oxygenase 2 (HMOX2) LDTP03540 25.99  LDD2003 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.73  LDD2003 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.31  LDD2003 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 5.50  LDD2003 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.43  LDD2003 
Peptidyl-prolyl cis-trans isomerase D (PPID) LDTP05573 5.98  LDD2003 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.36  LDD2003 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 12.82  LDD2003 
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⏷ Show the Full List of 13 Enzyme
5 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 6.28  LDD2003 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 12.21  LDD2003 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.15  LDD2003 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.06  LDD2003 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.13  LDD2003 
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4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Neuferricin (CYB5D2) LDTP15623 9.65  LDD2003 
Nucleobindin-2 (NUCB2) LDTP05160 7.01  LDD2003 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 11.96  LDD2003 
Protein CutA (CUTA) LDTP01075 5.46  LDD2003 
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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
 LDD2003 
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