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

12 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 
Acireductone dioxygenase (ADI1) LDTP11268 4.99  LDD1909 
Corrinoid adenosyltransferase MMAB (MMAB) LDTP10286 5.50  LDD1909 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.17  LDD1909 
Glutathione S-transferase A4 (GSTA4) LDTP00575 4.96  LDD1909 
Holocytochrome c-type synthase (HCCS) LDTP04581 5.98  LDD1909 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 5.46  LDD1909 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 6.36  LDD1909 
Prolyl 4-hydroxylase subunit alpha-2 (P4HA2) LDTP00645 5.17  LDD1909 
Prostaglandin reductase 1 (PTGR1) LDTP06227 6.92  LDD1909 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 24.25  LDD1909 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 8.00  LDD1909 
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⏷ Show the Full List of 12 Enzyme
3 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 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.43  LDD1909 
Mitochondrial glutamate carrier 1 (SLC25A22) LDTP12078 9.71  LDD1909 
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5 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 11.63  LDD1909 
Hepatoma-derived growth factor-related protein 2 (HDGFL2) LDTP08081 5.35  LDD1909 
Large ribosomal subunit protein mL55 (MRPL55) LDTP15269 6.36  LDD1909 
Neuferricin (CYB5D2) LDTP15623 6.28  LDD1909 
Protein transport protein Sec23B (SEC23B) LDTP06391 6.23  LDD1909 
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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