Details of the Probe

General Information of Probe

Probe ID
LDPC0309
Probe Name
C051
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 353.344
Lipid-water partition coefficient (xlogp) 3.9666
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H18F3N3O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c([H])c(C([H])(O[H])C([H])([H])C(F)(F)F)c2[H])N=N1
InChI
InChI=1S/C17H18F3N3O2/c1-2-3-8-16(22-23-16)9-7-15(25)21-13-6-4-5-12(10-13)14(24)11-17(18,19)20/h1,4-6,10,14,24H,3,7-9,11H2,(H,21,25)/t14-/m1/s1
InChIKey
ABWGGCPZUBHOCJ-CQSZACIVSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

22 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 5.31  LDD1749 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 5.31  LDD1749 
Cytochrome b5 type B (CYB5B) LDTP00697 5.74  LDD1749 
Cytochrome b5 type B (CYB5B) LDTP00697 5.74  LDD1749 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 5.24  LDD1749 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 5.24  LDD1749 
Heme oxygenase 2 (HMOX2) LDTP03540 5.74  LDD1749 
Heme oxygenase 2 (HMOX2) LDTP03540 5.74  LDD1749 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 5.10  LDD1749 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 5.10  LDD1749 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 11.24  LDD1749 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 11.24  LDD1749 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 15.45  LDD1749 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 15.45  LDD1749 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.94  LDD1749 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.94  LDD1749 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.74  LDD1749 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.74  LDD1749 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 5.28  LDD1749 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 5.28  LDD1749 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 5.03  LDD1749 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 5.03  LDD1749 
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⏷ Show the Full List of 22 Enzyme
20 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 11.88  LDD1749 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 11.88  LDD1749 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 10.78  LDD1749 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 10.78  LDD1749 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 9.99  LDD1749 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 9.99  LDD1749 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 13.64  LDD1749 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 13.64  LDD1749 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 5.13  LDD1749 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 5.13  LDD1749 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 4.96  LDD1749 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 4.96  LDD1749 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.17  LDD1749 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.17  LDD1749 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.15  LDD1749 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.15  LDD1749 
Transmembrane protein 199 (TMEM199) LDTP08881 8.63  LDD1749 
Transmembrane protein 199 (TMEM199) LDTP08881 8.63  LDD1749 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.24  LDD1749 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.24  LDD1749 
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⏷ Show the Full List of 20 Transporter and channel
16 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 10.06  LDD1749 
Apolipoprotein L2 (APOL2) LDTP11076 10.06  LDD1749 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 9.19  LDD1749 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 9.19  LDD1749 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 11.08  LDD1749 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 11.08  LDD1749 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 5.28  LDD1749 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 5.28  LDD1749 
Nucleobindin-2 (NUCB2) LDTP05160 6.23  LDD1749 
Nucleobindin-2 (NUCB2) LDTP05160 6.23  LDD1749 
Reticulon-4 (RTN4) LDTP12412 6.96  LDD1749 
Reticulon-4 (RTN4) LDTP12412 6.96  LDD1749 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 5.82  LDD1749 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 5.82  LDD1749 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.06  LDD1749 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.06  LDD1749 
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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
 LDD1749 
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