Details of the Probe

General Information of Probe

Probe ID
LDPC0463
Probe Name
C230
Synonyms
Z3426180920
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 341.4
Lipid-water partition coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H23N3O4S
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(1,1-dioxothian-4-yl)oxyethyl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NCCOC2CCS(=O)(=O)CC2
InChI
InChI=1S/C15H23N3O4S/c1-2-3-7-15(17-18-15)8-4-14(19)16-9-10-22-13-5-11-23(20,21)12-6-13/h1,13H,3-12H2,(H,16,19)
InChIKey
BFBLAXISCNUNGB-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

6 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
DNA replication licensing factor MCM3 (MCM3) LDTP03316 5.98  LDD1903 
DNA replication licensing factor MCM3 (MCM3) LDTP03316 5.98  LDD1903 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 24.25  LDD1903 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 24.25  LDD1903 
Prostaglandin reductase 3 (PTGR3) LDTP15422 7.94  LDD1903 
Prostaglandin reductase 3 (PTGR3) LDTP15422 7.94  LDD1903 
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⏷ Show the Full List of 6 Enzyme
4 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.40  LDD1903 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.40  LDD1903 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 9.58  LDD1903 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 9.58  LDD1903 
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2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Reticulocalbin-1 (RCN1) LDTP06352 10.13  LDD1903 
Reticulocalbin-1 (RCN1) LDTP06352 10.13  LDD1903 
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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
 LDD1903 
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