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

15 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.31  LDD1717 
Beta-galactosidase (GLB1) LDTP02837 4.92  LDD1717 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 4.96  LDD1717 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 8.06  LDD1717 
Exonuclease 1 (EXO1) LDTP13751 6.32  LDD1717 
Heme oxygenase 1 (HMOX1) LDTP02359 25.28  LDD1717 
Heme oxygenase 2 (HMOX2) LDTP03540 16.00  LDD1717 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.41  LDD1717 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 11.31  LDD1717 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.86  LDD1717 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.21  LDD1717 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 5.86  LDD1717 
Prostaglandin reductase 1 (PTGR1) LDTP06227 6.02  LDD1717 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.21  LDD1717 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.35  LDD1717 
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⏷ Show the Full List of 15 Enzyme
17 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 
Lysosome membrane protein 2 (SCARB2) LDTP06034 11.31  LDD1717 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 5.46  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-B (TIMM17B) LDTP01059 9.71  LDD1717 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 6.32  LDD1717 
Protein GPR107 (GPR107) LDTP07236 7.57  LDD1717 
Protein GPR108 (GPR108) LDTP12383 6.59  LDD1717 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 9.92  LDD1717 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.78  LDD1717 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 10.70  LDD1717 
Tetraspanin-3 (TSPAN3) LDTP16813 5.46  LDD1717 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 8.28  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 2 (VDAC2) LDTP04071 6.68  LDD1717 
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⏷ Show the Full List of 17 Transporter and channel
1 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 
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11 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 9.92  LDD1717 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 12.30  LDD1717 
HEAT repeat-containing protein 3 (HEATR3) LDTP15253 5.17  LDD1717 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.62  LDD1717 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 7.84  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 
Nucleobindin-2 (NUCB2) LDTP05160 7.73  LDD1717 
Protein FAM114A2 (FAM114A2) LDTP16080 5.17  LDD1717 
Sorting nexin-9 (SNX9) LDTP14172 5.62  LDD1717 
Tetraspanin-6 (TSPAN6) LDTP14458 6.28  LDD1717 
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⏷ 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
 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