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

32 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 44.94  LDD2044 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 44.94  LDD2044 
Epoxide hydrolase 1 (EPHX1) LDTP02175 4.99  LDD2044 
Epoxide hydrolase 1 (EPHX1) LDTP02175 4.99  LDD2044 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 5.28  LDD2044 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 5.28  LDD2044 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.17  LDD2044 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.17  LDD2044 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.17  LDD2044 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.17  LDD2044 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 22.78  LDD2044 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 22.78  LDD2044 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.96  LDD2044 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.96  LDD2044 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 6.41  LDD2044 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 6.41  LDD2044 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.43  LDD2044 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.43  LDD2044 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 20.68  LDD2044 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 20.68  LDD2044 
Prostaglandin reductase 3 (PTGR3) LDTP15422 13.00  LDD2044 
Prostaglandin reductase 3 (PTGR3) LDTP15422 13.00  LDD2044 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 9.71  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 
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 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 7.78  LDD2044 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 15.78  LDD2044 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 15.78  LDD2044 
Thimet oligopeptidase (THOP1) LDTP04542 7.78  LDD2044 
Thimet oligopeptidase (THOP1) LDTP04542 7.78  LDD2044 
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⏷ Show the Full List of 32 Enzyme
20 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Gasdermin-E (GSDME) LDTP00970 5.78  LDD2044 
Gasdermin-E (GSDME) LDTP00970 5.78  LDD2044 
Importin subunit alpha-5 (KPNA1) LDTP04502 9.19  LDD2044 
Importin subunit alpha-5 (KPNA1) LDTP04502 9.19  LDD2044 
Lysosome membrane protein 2 (SCARB2) LDTP06034 6.02  LDD2044 
Lysosome membrane protein 2 (SCARB2) LDTP06034 6.02  LDD2044 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.54  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-A (TIMM17A) LDTP10913 6.68  LDD2044 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 7.67  LDD2044 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 7.67  LDD2044 
Protein GPR107 (GPR107) LDTP07236 5.62  LDD2044 
Protein GPR107 (GPR107) LDTP07236 5.62  LDD2044 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.70  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 1 (VDAC1) LDTP03132 16.00  LDD2044 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 7.46  LDD2044 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 7.46  LDD2044 
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⏷ Show the Full List of 20 Transporter and channel
2 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 
HLA class I histocompatibility antigen, alpha chain F (HLA-F) LDTP03538 5.06  LDD2044 
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12 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 
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 
Capping protein-inhibiting regulator of actin dynamics (CRACD) LDTP07839 5.58  LDD2044 
Clustered mitochondria protein homolog (CLUH) LDTP14486 13.55  LDD2044 
Clustered mitochondria protein homolog (CLUH) LDTP14486 13.55  LDD2044 
Neuferricin (CYB5D2) LDTP15623 4.92  LDD2044 
Neuferricin (CYB5D2) LDTP15623 4.92  LDD2044 
Nucleobindin-2 (NUCB2) LDTP05160 6.92  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 
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 12 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