Details of the Probe

General Information of Probe

Probe ID
LDPC0322
Probe Name
C065
Synonyms
Z3433404796
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.32
Lipid-water partition coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H16F2N4O2
IUPAC Name
N-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)CNC(=O)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C16H16F2N4O2/c1-2-3-4-16(21-22-16)5-6-19-14(23)10-20-15(24)11-7-12(17)9-13(18)8-11/h1,7-9H,3-6,10H2,(H,19,23)(H,20,24)
InChIKey
GFRSZVIBJHFAEQ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

20 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-dehydrocholesterol reductase (DHCR7) LDTP13131 4.96  LDD1762 
7-dehydrocholesterol reductase (DHCR7) LDTP13131 4.96  LDD1762 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 4.96  LDD1762 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 4.96  LDD1762 
Heme oxygenase 1 (HMOX1) LDTP02359 6.92  LDD1762 
Heme oxygenase 1 (HMOX1) LDTP02359 6.92  LDD1762 
Heme oxygenase 2 (HMOX2) LDTP03540 14.42  LDD1762 
Heme oxygenase 2 (HMOX2) LDTP03540 14.42  LDD1762 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 6.15  LDD1762 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 6.15  LDD1762 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 8.82  LDD1762 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 8.82  LDD1762 
Prostaglandin reductase 3 (PTGR3) LDTP15422 6.41  LDD1762 
Prostaglandin reductase 3 (PTGR3) LDTP15422 6.41  LDD1762 
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA) LDTP04246 5.98  LDD1762 
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA) LDTP04246 5.98  LDD1762 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.43  LDD1762 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.43  LDD1762 
Ubiquitin carboxyl-terminal hydrolase 24 (USP24) LDTP13720 5.13  LDD1762 
Ubiquitin carboxyl-terminal hydrolase 24 (USP24) LDTP13720 5.13  LDD1762 
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⏷ Show the Full List of 20 Enzyme
18 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 14.72  LDD1762 
ATP synthase subunit a (MT-ATP6) LDTP01804 14.72  LDD1762 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 8.40  LDD1762 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 8.40  LDD1762 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.11  LDD1762 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.11  LDD1762 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.58  LDD1762 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.58  LDD1762 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 11.24  LDD1762 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 11.24  LDD1762 
Mpv17-like protein 2 (MPV17L2) LDTP14952 7.36  LDD1762 
Mpv17-like protein 2 (MPV17L2) LDTP14952 7.36  LDD1762 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 12.38  LDD1762 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 12.38  LDD1762 
Protein GPR107 (GPR107) LDTP07236 6.15  LDD1762 
Protein GPR107 (GPR107) LDTP07236 6.15  LDD1762 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.98  LDD1762 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.98  LDD1762 
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⏷ Show the Full List of 18 Transporter and channel
16 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 5.10  LDD1762 
Apolipoprotein L2 (APOL2) LDTP11076 5.10  LDD1762 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.31  LDD1762 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.31  LDD1762 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.06  LDD1762 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.06  LDD1762 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 8.88  LDD1762 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 8.88  LDD1762 
Nucleobindin-1 (NUCB1) LDTP05375 10.06  LDD1762 
Nucleobindin-1 (NUCB1) LDTP05375 10.06  LDD1762 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 5.13  LDD1762 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 5.13  LDD1762 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 6.28  LDD1762 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 6.28  LDD1762 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 8.06  LDD1762 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 8.06  LDD1762 
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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
 LDD1762 
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