Details of the Probe

General Information of Probe

Probe ID
LDPC0370
Probe Name
C128
Synonyms
Z3426163961
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 366.5
Lipid-water partition coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H26N4O3S
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R,2R)-2-(cyclopropylsulfonylamino)cyclohexyl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NC2CCCCC2NS(=O)(=O)C3CC3
InChI
InChI=1S/C17H26N4O3S/c1-2-3-11-17(20-21-17)12-10-16(22)18-14-6-4-5-7-15(14)19-25(23,24)13-8-9-13/h1,13-15,19H,3-12H2,(H,18,22)/t14-,15-/m1/s1
InChIKey
NGIJAVVMHGUAGR-HUUCEWRRSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.52  LDD1810 
p53 and DNA damage-regulated protein 1 (PDRG1) LDTP16099 6.36  LDD1810 
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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
 LDD1810 
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