Details of the Probe

General Information of Probe

Probe ID
LDPC0604
Probe Name
C385
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 315.417
Lipid-water partition coefficient (xlogp) 2.9038
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H25N3O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C3(C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])C23C([H])([H])C3([H])[H])N=N1
InChI
InChI=1S/C18H25N3O2/c1-2-3-5-18(19-20-18)6-4-15(22)21-12-9-16(17(21)7-8-17)10-13-23-14-11-16/h1H,3-14H2
InChIKey
SWEVOXIPSUTFDE-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

16 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 44.94  LDD2044 
Epoxide hydrolase 1 (EPHX1) LDTP02175 4.99  LDD2044 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 5.28  LDD2044 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.17  LDD2044 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.17  LDD2044 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 22.78  LDD2044 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.96  LDD2044 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 6.41  LDD2044 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.43  LDD2044 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 20.68  LDD2044 
Prostaglandin reductase 3 (PTGR3) LDTP15422 13.00  LDD2044 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 9.71  LDD2044 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 9.92  LDD2044 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 7.78  LDD2044 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 15.78  LDD2044 
Thimet oligopeptidase (THOP1) LDTP04542 7.78  LDD2044 
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⏷ Show the Full List of 16 Enzyme
10 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Gasdermin-E (GSDME) LDTP00970 5.78  LDD2044 
Importin subunit alpha-5 (KPNA1) LDTP04502 9.19  LDD2044 
Lysosome membrane protein 2 (SCARB2) LDTP06034 6.02  LDD2044 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.54  LDD2044 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 6.68  LDD2044 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 7.67  LDD2044 
Protein GPR107 (GPR107) LDTP07236 5.62  LDD2044 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.70  LDD2044 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 16.00  LDD2044 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 7.46  LDD2044 
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⏷ Show the Full List of 10 Transporter and channel
1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, alpha chain F (HLA-F) LDTP03538 5.06  LDD2044 
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6 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.45  LDD2044 
Capping protein-inhibiting regulator of actin dynamics (CRACD) LDTP07839 5.58  LDD2044 
Clustered mitochondria protein homolog (CLUH) LDTP14486 13.55  LDD2044 
Neuferricin (CYB5D2) LDTP15623 4.92  LDD2044 
Nucleobindin-2 (NUCB2) LDTP05160 6.92  LDD2044 
TAF6-like RNA polymerase II p300/CBP-associated factor-associated factor 65 kDa subunit 6L (TAF6L) LDTP14263 5.66  LDD2044 
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⏷ Show the Full List of 6 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
 LDD2044 
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