Details of the Probe

General Information of Probe

Probe ID
LDPC0631
Probe Name
C416
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 331.372
Lipid-water partition coefficient (xlogp) 1.973
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H21N3O4
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c(C3(O[H])C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])oc([H])c2[H])N=N1
InChI
InChI=1S/C17H21N3O4/c1-2-3-5-17(19-20-17)6-9-18-15(21)13-4-10-24-14(13)16(22)7-11-23-12-8-16/h1,4,10,22H,3,5-9,11-12H2,(H,18,21)
InChIKey
AGWQNMQCZWUTCI-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

20 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.50  LDD2071 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.50  LDD2071 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 5.86  LDD2071 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 5.86  LDD2071 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.06  LDD2071 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.06  LDD2071 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 9.00  LDD2071 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 9.00  LDD2071 
Methionine aminopeptidase 2 (METAP2) LDTP04375 5.74  LDD2071 
Methionine aminopeptidase 2 (METAP2) LDTP04375 5.74  LDD2071 
Phosphoribosylformylglycinamidine synthase (PFAS) LDTP00527 5.28  LDD2071 
Phosphoribosylformylglycinamidine synthase (PFAS) LDTP00527 5.28  LDD2071 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.88  LDD2071 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.88  LDD2071 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.36  LDD2071 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.36  LDD2071 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 18.38  LDD2071 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 18.38  LDD2071 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 5.66  LDD2071 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 5.66  LDD2071 
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⏷ Show the Full List of 20 Enzyme
20 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 12.21  LDD2071 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 12.21  LDD2071 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 7.73  LDD2071 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 7.73  LDD2071 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.46  LDD2071 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.46  LDD2071 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 16.22  LDD2071 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 16.22  LDD2071 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 16.11  LDD2071 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 16.11  LDD2071 
Monocarboxylate transporter 1 (SLC16A1) LDTP04592 5.35  LDD2071 
Monocarboxylate transporter 1 (SLC16A1) LDTP04592 5.35  LDD2071 
Mpv17-like protein 2 (MPV17L2) LDTP14952 7.01  LDD2071 
Mpv17-like protein 2 (MPV17L2) LDTP14952 7.01  LDD2071 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 8.11  LDD2071 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 8.11  LDD2071 
Transmembrane protein 199 (TMEM199) LDTP08881 10.56  LDD2071 
Transmembrane protein 199 (TMEM199) LDTP08881 10.56  LDD2071 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 12.30  LDD2071 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 12.30  LDD2071 
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⏷ Show the Full List of 20 Transporter and channel
10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.54  LDD2071 
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.54  LDD2071 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.62  LDD2071 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.62  LDD2071 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 6.63  LDD2071 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 6.63  LDD2071 
Protein unc-119 homolog B (UNC119B) LDTP00105 16.68  LDD2071 
Protein unc-119 homolog B (UNC119B) LDTP00105 16.68  LDD2071 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.35  LDD2071 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 5.35  LDD2071 
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⏷ Show the Full List of 10 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
 LDD2071 
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