Details of the Probe

General Information of Probe

Probe ID
LDPC0384
Probe Name
C142
Synonyms
Z3462042518
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 328.4
Lipid-water partition coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H20N4O3
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2=CC(=NC=C2)OC3CCOC3
InChI
InChI=1S/C17H20N4O3/c1-2-3-6-17(20-21-17)7-9-19-16(22)13-4-8-18-15(11-13)24-14-5-10-23-12-14/h1,4,8,11,14H,3,5-7,9-10,12H2,(H,19,22)
InChIKey
PEUORYZYAXXXOV-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

26 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 7.67  LDD1824 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 7.67  LDD1824 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.21  LDD1824 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.21  LDD1824 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 10.78  LDD1824 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 10.78  LDD1824 
Epoxide hydrolase 1 (EPHX1) LDTP02175 8.51  LDD1824 
Epoxide hydrolase 1 (EPHX1) LDTP02175 8.51  LDD1824 
Exonuclease 1 (EXO1) LDTP13751 5.03  LDD1824 
Exonuclease 1 (EXO1) LDTP13751 5.03  LDD1824 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 13.83  LDD1824 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 13.83  LDD1824 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 6.23  LDD1824 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 6.23  LDD1824 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 26.72  LDD1824 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 26.72  LDD1824 
Prostaglandin reductase 3 (PTGR3) LDTP15422 10.27  LDD1824 
Prostaglandin reductase 3 (PTGR3) LDTP15422 10.27  LDD1824 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.32  LDD1824 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.32  LDD1824 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 4.99  LDD1824 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 4.99  LDD1824 
Squalene synthase (FDFT1) LDTP03842 5.35  LDD1824 
Squalene synthase (FDFT1) LDTP03842 5.35  LDD1824 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 5.50  LDD1824 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 5.50  LDD1824 
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⏷ Show the Full List of 26 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 12.04  LDD1824 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 12.04  LDD1824 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.82  LDD1824 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.82  LDD1824 
Mpv17-like protein 2 (MPV17L2) LDTP14952 10.56  LDD1824 
Mpv17-like protein 2 (MPV17L2) LDTP14952 10.56  LDD1824 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 8.69  LDD1824 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 8.69  LDD1824 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 8.94  LDD1824 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 8.94  LDD1824 
Transmembrane protein 205 (TMEM205) LDTP07667 22.47  LDD1824 
Transmembrane protein 205 (TMEM205) LDTP07667 22.47  LDD1824 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 7.94  LDD1824 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 7.94  LDD1824 
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⏷ Show the Full List of 14 Transporter and channel
8 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Large proline-rich protein BAG6 (BAG6) LDTP04094 8.34  LDD1824 
Large proline-rich protein BAG6 (BAG6) LDTP04094 8.34  LDD1824 
Neuferricin (CYB5D2) LDTP15623 7.52  LDD1824 
Neuferricin (CYB5D2) LDTP15623 7.52  LDD1824 
Protein unc-119 homolog B (UNC119B) LDTP00105 6.32  LDD1824 
Protein unc-119 homolog B (UNC119B) LDTP00105 6.32  LDD1824 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 5.58  LDD1824 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 5.58  LDD1824 
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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
 LDD1824 
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