Details of the Probe

General Information of Probe

Probe ID
LDPC0566
Probe Name
C344
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 358.486
Lipid-water partition coefficient (xlogp) 3.0296
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H30N4O2
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])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C3([H])C([H])([H])C([H])([H])C([H])([H])C23[H])N=N1
InChI
InChI=1S/C20H30N4O2/c1-2-3-12-20(22-23-20)13-11-18(25)24-15-7-5-4-6-14-21-19(26)16-9-8-10-17(16)24/h1,16-17H,3-15H2,(H,21,26)/t16-,17+/m1/s1
InChIKey
MXNOQAMKQOKCRA-SJORKVTESA-N

The Probe Interaction Atlas

Target(s) List of this Probe

36 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.58  LDD2006 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.58  LDD2006 
Dihydrofolate reductase (DHFR) LDTP01769 7.67  LDD2006 
Dihydrofolate reductase (DHFR) LDTP01769 7.67  LDD2006 
DNA polymerase epsilon subunit 2 (POLE2) LDTP04737 10.27  LDD2006 
DNA polymerase epsilon subunit 2 (POLE2) LDTP04737 10.27  LDD2006 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 5.13  LDD2006 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 5.13  LDD2006 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 5.17  LDD2006 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 5.17  LDD2006 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 4.92  LDD2006 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 4.92  LDD2006 
Glutathione S-transferase A4 (GSTA4) LDTP00575 18.64  LDD2006 
Glutathione S-transferase A4 (GSTA4) LDTP00575 18.64  LDD2006 
Histone-lysine N-methyltransferase NSD2 (NSD2) LDTP01759 6.92  LDD2006 
Histone-lysine N-methyltransferase NSD2 (NSD2) LDTP01759 6.92  LDD2006 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.90  LDD2006 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.90  LDD2006 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.39  LDD2006 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.39  LDD2006 
NAD-capped RNA hydrolase NUDT12 (NUDT12) LDTP11081 5.70  LDD2006 
NAD-capped RNA hydrolase NUDT12 (NUDT12) LDTP11081 5.70  LDD2006 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 8.17  LDD2006 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 8.17  LDD2006 
Phospholipase A2 group XV (PLA2G15) LDTP09088 5.43  LDD2006 
Phospholipase A2 group XV (PLA2G15) LDTP09088 5.43  LDD2006 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.24  LDD2006 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.24  LDD2006 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 16.22  LDD2006 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 16.22  LDD2006 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 5.86  LDD2006 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 5.86  LDD2006 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 14.12  LDD2006 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 14.12  LDD2006 
STAM-binding protein (STAMBP) LDTP01641 9.25  LDD2006 
STAM-binding protein (STAMBP) LDTP01641 9.25  LDD2006 
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⏷ Show the Full List of 36 Enzyme
10 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.86  LDD2006 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.86  LDD2006 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 5.21  LDD2006 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 5.21  LDD2006 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 8.88  LDD2006 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 8.88  LDD2006 
Protein GPR108 (GPR108) LDTP12383 5.50  LDD2006 
Protein GPR108 (GPR108) LDTP12383 5.50  LDD2006 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.34  LDD2006 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.34  LDD2006 
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⏷ Show the Full List of 10 Transporter and channel
18 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 15.89  LDD2006 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 15.89  LDD2006 
Clusterin (CLU) LDTP02526 5.03  LDD2006 
Clusterin (CLU) LDTP02526 5.03  LDD2006 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 5.43  LDD2006 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 5.43  LDD2006 
Desmocollin-3 (DSC3) LDTP06154 5.31  LDD2006 
Desmocollin-3 (DSC3) LDTP06154 5.31  LDD2006 
Nucleobindin-2 (NUCB2) LDTP05160 5.90  LDD2006 
Nucleobindin-2 (NUCB2) LDTP05160 5.90  LDD2006 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.62  LDD2006 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.62  LDD2006 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 6.92  LDD2006 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 6.92  LDD2006 
SHC SH2 domain-binding protein 1 (SHCBP1) LDTP17808 4.92  LDD2006 
SHC SH2 domain-binding protein 1 (SHCBP1) LDTP17808 4.92  LDD2006 
Splicing factor 3B subunit 5 (SF3B5) LDTP11328 6.50  LDD2006 
Splicing factor 3B subunit 5 (SF3B5) LDTP11328 6.50  LDD2006 
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⏷ Show the Full List of 18 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
 LDD2006 
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