Details of the Probe

General Information of Probe

Probe ID
LDPC0277
Probe Name
C008
Synonyms
Z4286591446
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 338.35
Lipid-water partition coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C16H20F2N4O2
IUPAC Name
2-tert-butyl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(difluoromethyl)-1,3-oxazole-5-carboxamide
Canonical SMILES
CC(C)(C)C1=NC(=C(O1)C(=O)NCCC2(N=N2)CCC#C)C(F)F
InChI
InChI=1S/C16H20F2N4O2/c1-5-6-7-16(21-22-16)8-9-19-13(23)11-10(12(17)18)20-14(24-11)15(2,3)4/h1,12H,6-9H2,2-4H3,(H,19,23)
InChIKey
XCKDTAKUURLTQX-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

30 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.31  LDD1717 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.31  LDD1717 
Beta-galactosidase (GLB1) LDTP02837 4.92  LDD1717 
Beta-galactosidase (GLB1) LDTP02837 4.92  LDD1717 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 4.96  LDD1717 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 4.96  LDD1717 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 8.06  LDD1717 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 8.06  LDD1717 
Exonuclease 1 (EXO1) LDTP13751 6.32  LDD1717 
Exonuclease 1 (EXO1) LDTP13751 6.32  LDD1717 
Heme oxygenase 1 (HMOX1) LDTP02359 25.28  LDD1717 
Heme oxygenase 1 (HMOX1) LDTP02359 25.28  LDD1717 
Heme oxygenase 2 (HMOX2) LDTP03540 16.00  LDD1717 
Heme oxygenase 2 (HMOX2) LDTP03540 16.00  LDD1717 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.41  LDD1717 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.41  LDD1717 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 11.31  LDD1717 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 11.31  LDD1717 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.86  LDD1717 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.86  LDD1717 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.21  LDD1717 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.21  LDD1717 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 5.86  LDD1717 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 5.86  LDD1717 
Prostaglandin reductase 1 (PTGR1) LDTP06227 6.02  LDD1717 
Prostaglandin reductase 1 (PTGR1) LDTP06227 6.02  LDD1717 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.21  LDD1717 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.21  LDD1717 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.35  LDD1717 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.35  LDD1717 
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⏷ Show the Full List of 30 Enzyme
34 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 14.72  LDD1717 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 14.72  LDD1717 
Lysosome membrane protein 2 (SCARB2) LDTP06034 11.31  LDD1717 
Lysosome membrane protein 2 (SCARB2) LDTP06034 11.31  LDD1717 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 5.46  LDD1717 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 5.46  LDD1717 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 7.06  LDD1717 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 7.06  LDD1717 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 8.17  LDD1717 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 8.17  LDD1717 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.71  LDD1717 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.71  LDD1717 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 6.32  LDD1717 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 6.32  LDD1717 
Protein GPR107 (GPR107) LDTP07236 7.57  LDD1717 
Protein GPR107 (GPR107) LDTP07236 7.57  LDD1717 
Protein GPR108 (GPR108) LDTP12383 6.59  LDD1717 
Protein GPR108 (GPR108) LDTP12383 6.59  LDD1717 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 9.92  LDD1717 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 9.92  LDD1717 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.78  LDD1717 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.78  LDD1717 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 10.70  LDD1717 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 10.70  LDD1717 
Tetraspanin-3 (TSPAN3) LDTP16813 5.46  LDD1717 
Tetraspanin-3 (TSPAN3) LDTP16813 5.46  LDD1717 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 8.28  LDD1717 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 8.28  LDD1717 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 7.11  LDD1717 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 7.11  LDD1717 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.00  LDD1717 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 8.00  LDD1717 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.68  LDD1717 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.68  LDD1717 
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⏷ Show the Full List of 34 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Forkhead-associated domain-containing protein 1 (FHAD1) LDTP16717 10.06  LDD1717 
Forkhead-associated domain-containing protein 1 (FHAD1) LDTP16717 10.06  LDD1717 
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22 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 9.92  LDD1717 
Apolipoprotein L2 (APOL2) LDTP11076 9.92  LDD1717 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 12.30  LDD1717 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 12.30  LDD1717 
HEAT repeat-containing protein 3 (HEATR3) LDTP15253 5.17  LDD1717 
HEAT repeat-containing protein 3 (HEATR3) LDTP15253 5.17  LDD1717 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.62  LDD1717 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.62  LDD1717 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 7.84  LDD1717 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 7.84  LDD1717 
Mediator of RNA polymerase II transcription subunit 25 (MED25) LDTP07906 5.35  LDD1717 
Mediator of RNA polymerase II transcription subunit 25 (MED25) LDTP07906 5.35  LDD1717 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 12.04  LDD1717 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 12.04  LDD1717 
Nucleobindin-2 (NUCB2) LDTP05160 7.73  LDD1717 
Nucleobindin-2 (NUCB2) LDTP05160 7.73  LDD1717 
Protein FAM114A2 (FAM114A2) LDTP16080 5.17  LDD1717 
Protein FAM114A2 (FAM114A2) LDTP16080 5.17  LDD1717 
Sorting nexin-9 (SNX9) LDTP14172 5.62  LDD1717 
Sorting nexin-9 (SNX9) LDTP14172 5.62  LDD1717 
Tetraspanin-6 (TSPAN6) LDTP14458 6.28  LDD1717 
Tetraspanin-6 (TSPAN6) LDTP14458 6.28  LDD1717 
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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
 LDD1717 
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