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

23 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-aminoadipic semialdehyde dehydrogenase (ALDH7A1) LDTP04253 5.66  LDD2021 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 8.40  LDD2021 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.28  LDD2021 
Ethanolamine kinase 1 (ETNK1) LDTP12197 4.92  LDD2021 
Exonuclease 1 (EXO1) LDTP13751 6.87  LDD2021 
Heme oxygenase 2 (HMOX2) LDTP03540 11.96  LDD2021 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 15.67  LDD2021 
Lanosterol synthase (LSS) LDTP04183 5.13  LDD2021 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.94  LDD2021 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 22.63  LDD2021 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.03  LDD2021 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.22  LDD2021 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 12.64  LDD2021 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 7.01  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 
Phospholipase A2 group XV (PLA2G15) LDTP09088 9.32  LDD2021 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 6.63  LDD2021 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 10.41  LDD2021 
Prostaglandin reductase 3 (PTGR3) LDTP15422 15.67  LDD2021 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.11  LDD2021 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 13.18  LDD2021 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 9.45  LDD2021 
------------------------------------------------------------------------------------
⏷ Show the Full List of 23 Enzyme
11 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 
Lysosome membrane protein 2 (SCARB2) LDTP06034 12.30  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-B (TIMM17B) LDTP01059 22.94  LDD2021 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 15.78  LDD2021 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 12.30  LDD2021 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.98  LDD2021 
Translocator protein (TSPO) LDTP03546 4.96  LDD2021 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 5.21  LDD2021 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.63  LDD2021 
------------------------------------------------------------------------------------
⏷ Show the Full List of 11 Transporter and channel
11 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 
Clustered mitochondria protein homolog (CLUH) LDTP14486 9.00  LDD2021 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 8.17  LDD2021 
HCLS1-associated protein X-1 (HAX1) LDTP00199 5.43  LDD2021 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.43  LDD2021 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 11.71  LDD2021 
Nucleobindin-2 (NUCB2) LDTP05160 7.36  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 B (UNC119B) LDTP00105 12.73  LDD2021 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 5.86  LDD2021 
------------------------------------------------------------------------------------
⏷ Show the Full List of 11 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