Details of the Probe

General Information of Probe

Probe ID
LDPC0469
Probe Name
C236
Synonyms
Z4282860059
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 392.5
Lipid-water partition coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C17H24N6O3S
IUPAC Name
N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanesulfonamide
Canonical SMILES
CS(=O)(=O)NC1=C(NN=C1)C2CCCN(C2)C(=O)CCC3(N=N3)CCC#C
InChI
InChI=1S/C17H24N6O3S/c1-3-4-8-17(21-22-17)9-7-15(24)23-10-5-6-13(12-23)16-14(11-18-19-16)20-27(2,25)26/h1,11,13,20H,4-10,12H2,2H3,(H,18,19)
InChIKey
LLBHXEZVEPDTIL-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

24 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-oxoglutarate and iron-dependent oxygenase domain-containing protein 3 (OGFOD3) LDTP15132 34.30  LDD1909 
2-oxoglutarate and iron-dependent oxygenase domain-containing protein 3 (OGFOD3) LDTP15132 34.30  LDD1909 
Acireductone dioxygenase (ADI1) LDTP11268 4.99  LDD1909 
Acireductone dioxygenase (ADI1) LDTP11268 4.99  LDD1909 
Corrinoid adenosyltransferase MMAB (MMAB) LDTP10286 5.50  LDD1909 
Corrinoid adenosyltransferase MMAB (MMAB) LDTP10286 5.50  LDD1909 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.17  LDD1909 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.17  LDD1909 
Glutathione S-transferase A4 (GSTA4) LDTP00575 4.96  LDD1909 
Glutathione S-transferase A4 (GSTA4) LDTP00575 4.96  LDD1909 
Holocytochrome c-type synthase (HCCS) LDTP04581 5.98  LDD1909 
Holocytochrome c-type synthase (HCCS) LDTP04581 5.98  LDD1909 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 5.46  LDD1909 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 5.46  LDD1909 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 6.36  LDD1909 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 6.36  LDD1909 
Prolyl 4-hydroxylase subunit alpha-2 (P4HA2) LDTP00645 5.17  LDD1909 
Prolyl 4-hydroxylase subunit alpha-2 (P4HA2) LDTP00645 5.17  LDD1909 
Prostaglandin reductase 1 (PTGR1) LDTP06227 6.92  LDD1909 
Prostaglandin reductase 1 (PTGR1) LDTP06227 6.92  LDD1909 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 24.25  LDD1909 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 24.25  LDD1909 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 8.00  LDD1909 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 8.00  LDD1909 
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⏷ Show the Full List of 24 Enzyme
6 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 7.89  LDD1909 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 7.89  LDD1909 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.43  LDD1909 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.43  LDD1909 
Mitochondrial glutamate carrier 1 (SLC25A22) LDTP12078 9.71  LDD1909 
Mitochondrial glutamate carrier 1 (SLC25A22) LDTP12078 9.71  LDD1909 
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⏷ Show the Full List of 6 Transporter and channel
10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 11.63  LDD1909 
Apolipoprotein L2 (APOL2) LDTP11076 11.63  LDD1909 
Hepatoma-derived growth factor-related protein 2 (HDGFL2) LDTP08081 5.35  LDD1909 
Hepatoma-derived growth factor-related protein 2 (HDGFL2) LDTP08081 5.35  LDD1909 
Large ribosomal subunit protein mL55 (MRPL55) LDTP15269 6.36  LDD1909 
Large ribosomal subunit protein mL55 (MRPL55) LDTP15269 6.36  LDD1909 
Neuferricin (CYB5D2) LDTP15623 6.28  LDD1909 
Neuferricin (CYB5D2) LDTP15623 6.28  LDD1909 
Protein transport protein Sec23B (SEC23B) LDTP06391 6.23  LDD1909 
Protein transport protein Sec23B (SEC23B) LDTP06391 6.23  LDD1909 
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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
 LDD1909 
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