Details of the Probe

General Information of Probe

Probe ID
LDPC0286
Probe Name
C018
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 372.425
Lipid-water partition coefficient (xlogp) 3.3914
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H17FN4O2S
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c(F)c([H])c2C([H])([H])n2c([H])c([H])sc2=O)N=N1
InChI
InChI=1S/C18H17FN4O2S/c1-2-3-7-18(21-22-18)8-6-16(24)20-15-5-4-14(19)11-13(15)12-23-9-10-26-17(23)25/h1,4-5,9-11H,3,6-8,12H2,(H,20,24)
InChIKey
JDWRKBFPFANFOO-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

34 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 5.28  LDD1726 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 5.28  LDD1726 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 5.58  LDD1726 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 5.58  LDD1726 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 5.35  LDD1726 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 5.35  LDD1726 
Delta(24)-sterol reductase (DHCR24) LDTP06375 8.34  LDD1726 
Delta(24)-sterol reductase (DHCR24) LDTP06375 8.34  LDD1726 
Dihydrofolate reductase (DHFR) LDTP01769 5.50  LDD1726 
Dihydrofolate reductase (DHFR) LDTP01769 5.50  LDD1726 
Exonuclease 1 (EXO1) LDTP13751 6.23  LDD1726 
Exonuclease 1 (EXO1) LDTP13751 6.23  LDD1726 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 7.78  LDD1726 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 7.78  LDD1726 
Ferrochelatase, mitochondrial (FECH) LDTP03198 5.78  LDD1726 
Ferrochelatase, mitochondrial (FECH) LDTP03198 5.78  LDD1726 
Heme oxygenase 1 (HMOX1) LDTP02359 5.62  LDD1726 
Heme oxygenase 1 (HMOX1) LDTP02359 5.62  LDD1726 
Heme oxygenase 2 (HMOX2) LDTP03540 9.32  LDD1726 
Heme oxygenase 2 (HMOX2) LDTP03540 9.32  LDD1726 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.86  LDD1726 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.86  LDD1726 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 12.82  LDD1726 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 12.82  LDD1726 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.28  LDD1726 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.28  LDD1726 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 11.55  LDD1726 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 11.55  LDD1726 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 10.85  LDD1726 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 10.85  LDD1726 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.86  LDD1726 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.86  LDD1726 
Transcription intermediary factor 1-alpha (TRIM24) LDTP00559 5.03  LDD1726 
Transcription intermediary factor 1-alpha (TRIM24) LDTP00559 5.03  LDD1726 
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⏷ Show the Full List of 34 Enzyme
16 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.24  LDD1726 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.24  LDD1726 
Lysosome membrane protein 2 (SCARB2) LDTP06034 13.00  LDD1726 
Lysosome membrane protein 2 (SCARB2) LDTP06034 13.00  LDD1726 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.45  LDD1726 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.45  LDD1726 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.06  LDD1726 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.06  LDD1726 
Mpv17-like protein 2 (MPV17L2) LDTP14952 7.36  LDD1726 
Mpv17-like protein 2 (MPV17L2) LDTP14952 7.36  LDD1726 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 9.71  LDD1726 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 9.71  LDD1726 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 10.78  LDD1726 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 10.78  LDD1726 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 5.21  LDD1726 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 5.21  LDD1726 
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⏷ Show the Full List of 16 Transporter and channel
20 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 5.90  LDD1726 
Apolipoprotein L2 (APOL2) LDTP11076 5.90  LDD1726 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.24  LDD1726 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.24  LDD1726 
Engulfment and cell motility protein 2 (ELMO2) LDTP10469 6.59  LDD1726 
Engulfment and cell motility protein 2 (ELMO2) LDTP10469 6.59  LDD1726 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 7.62  LDD1726 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 7.62  LDD1726 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 10.56  LDD1726 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 10.56  LDD1726 
Nucleobindin-1 (NUCB1) LDTP05375 8.51  LDD1726 
Nucleobindin-1 (NUCB1) LDTP05375 8.51  LDD1726 
Nucleobindin-2 (NUCB2) LDTP05160 4.96  LDD1726 
Nucleobindin-2 (NUCB2) LDTP05160 4.96  LDD1726 
Tubulin beta chain (TUBB) LDTP02205 6.36  LDD1726 
Tubulin beta chain (TUBB) LDTP02205 6.36  LDD1726 
Tubulin beta-2A chain (TUBB2A) LDTP05998 6.36  LDD1726 
Tubulin beta-2A chain (TUBB2A) LDTP05998 6.36  LDD1726 
Uncharacterized protein KIAA2013 (KIAA2013) LDTP17652 5.70  LDD1726 
Uncharacterized protein KIAA2013 (KIAA2013) LDTP17652 5.70  LDD1726 
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⏷ Show the Full List of 20 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
 LDD1726 
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