Details of the Probe

General Information of Probe

Probe ID
LDPC0395
Probe Name
C154
Synonyms
Z4282859871
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 326.4
Lipid-water partition coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H22N6O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NCC2=NN=C(N2C3CC3)C4CC4
InChI
InChI=1S/C17H22N6O/c1-2-3-9-17(21-22-17)10-8-15(24)18-11-14-19-20-16(12-4-5-12)23(14)13-6-7-13/h1,12-13H,3-11H2,(H,18,24)
InChIKey
IQVIGIIEERVHLN-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

1 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Prostaglandin reductase 1 (PTGR1) LDTP06227 4.99  LDD1835 
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1 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 6.32  LDD1835 
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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
 LDD1835 
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