Details of the Probe

General Information of Probe

Probe ID
LDPC0581
Probe Name
C360
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 331.338
Lipid-water partition coefficient (xlogp) 2.9583
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H20F3N3O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C2([H])OC([H])(C(F)(F)F)C([H])([H])C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C15H20F3N3O2/c1-2-3-8-14(20-21-14)9-7-13(22)19-10-11-5-4-6-12(23-11)15(16,17)18/h1,11-12H,3-10H2,(H,19,22)/t11-,12-/m1/s1
InChIKey
XPPPOTPAJKNXNB-VXGBXAGGSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

46 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-aminoadipic semialdehyde dehydrogenase (ALDH7A1) LDTP04253 5.66  LDD2021 
Alpha-aminoadipic semialdehyde dehydrogenase (ALDH7A1) LDTP04253 5.66  LDD2021 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 8.40  LDD2021 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 8.40  LDD2021 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.28  LDD2021 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.28  LDD2021 
Ethanolamine kinase 1 (ETNK1) LDTP12197 4.92  LDD2021 
Ethanolamine kinase 1 (ETNK1) LDTP12197 4.92  LDD2021 
Exonuclease 1 (EXO1) LDTP13751 6.87  LDD2021 
Exonuclease 1 (EXO1) LDTP13751 6.87  LDD2021 
Heme oxygenase 2 (HMOX2) LDTP03540 11.96  LDD2021 
Heme oxygenase 2 (HMOX2) LDTP03540 11.96  LDD2021 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 15.67  LDD2021 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 15.67  LDD2021 
Lanosterol synthase (LSS) LDTP04183 5.13  LDD2021 
Lanosterol synthase (LSS) LDTP04183 5.13  LDD2021 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.94  LDD2021 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.94  LDD2021 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 22.63  LDD2021 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 22.63  LDD2021 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.03  LDD2021 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.03  LDD2021 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.22  LDD2021 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.22  LDD2021 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 12.64  LDD2021 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 12.64  LDD2021 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 7.01  LDD2021 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 7.01  LDD2021 
NADH dehydrogenase 1 beta subcomplex subunit 8, mitochondrial (NDUFB8) LDTP01515 5.74  LDD2021 
NADH dehydrogenase 1 beta subcomplex subunit 8, mitochondrial (NDUFB8) LDTP01515 5.74  LDD2021 
Peptidyl-prolyl cis-trans isomerase FKBP9 (FKBP9) LDTP01562 6.82  LDD2021 
Peptidyl-prolyl cis-trans isomerase FKBP9 (FKBP9) LDTP01562 6.82  LDD2021 
Phospholipase A2 group XV (PLA2G15) LDTP09088 9.32  LDD2021 
Phospholipase A2 group XV (PLA2G15) LDTP09088 9.32  LDD2021 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 6.63  LDD2021 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 6.63  LDD2021 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 10.41  LDD2021 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 10.41  LDD2021 
Prostaglandin reductase 3 (PTGR3) LDTP15422 15.67  LDD2021 
Prostaglandin reductase 3 (PTGR3) LDTP15422 15.67  LDD2021 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.11  LDD2021 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.11  LDD2021 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 13.18  LDD2021 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 13.18  LDD2021 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.45  LDD2021 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.45  LDD2021 
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⏷ Show the Full List of 46 Enzyme
22 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 7.31  LDD2021 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 7.31  LDD2021 
Lysosome membrane protein 2 (SCARB2) LDTP06034 12.30  LDD2021 
Lysosome membrane protein 2 (SCARB2) LDTP06034 12.30  LDD2021 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.00  LDD2021 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.00  LDD2021 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 25.63  LDD2021 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 25.63  LDD2021 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 22.94  LDD2021 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 22.94  LDD2021 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 15.78  LDD2021 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 15.78  LDD2021 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 12.30  LDD2021 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 12.30  LDD2021 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.98  LDD2021 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.98  LDD2021 
Translocator protein (TSPO) LDTP03546 4.96  LDD2021 
Translocator protein (TSPO) LDTP03546 4.96  LDD2021 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 5.21  LDD2021 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 5.21  LDD2021 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.63  LDD2021 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.63  LDD2021 
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⏷ Show the Full List of 22 Transporter and channel
22 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.10  LDD2021 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.10  LDD2021 
Clustered mitochondria protein homolog (CLUH) LDTP14486 9.00  LDD2021 
Clustered mitochondria protein homolog (CLUH) LDTP14486 9.00  LDD2021 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 8.17  LDD2021 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 8.17  LDD2021 
HCLS1-associated protein X-1 (HAX1) LDTP00199 5.43  LDD2021 
HCLS1-associated protein X-1 (HAX1) LDTP00199 5.43  LDD2021 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.43  LDD2021 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.43  LDD2021 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 11.71  LDD2021 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 11.71  LDD2021 
Nucleobindin-2 (NUCB2) LDTP05160 7.36  LDD2021 
Nucleobindin-2 (NUCB2) LDTP05160 7.36  LDD2021 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 5.03  LDD2021 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 5.03  LDD2021 
Protein unc-119 homolog A (UNC119) LDTP05868 4.96  LDD2021 
Protein unc-119 homolog A (UNC119) LDTP05868 4.96  LDD2021 
Protein unc-119 homolog B (UNC119B) LDTP00105 12.73  LDD2021 
Protein unc-119 homolog B (UNC119B) LDTP00105 12.73  LDD2021 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 5.86  LDD2021 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 5.86  LDD2021 
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⏷ Show the Full List of 22 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
 LDD2021 
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