Details of the Probe

General Information of Probe

Probe ID
LDPC0366
Probe Name
C120
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 407.47
Lipid-water partition coefficient (xlogp) 3.43922
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H25N3O4
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])(Oc2c([H])c(C([H])([H])[H])c([H])c3oc(=O)c4c(c23)C([H])([H])C([H])([H])C4([H])[H])C([H])([H])[H])N=N1
InChI
InChI=1S/C23H25N3O4/c1-4-5-9-23(25-26-23)10-11-24-21(27)15(3)29-18-12-14(2)13-19-20(18)16-7-6-8-17(16)22(28)30-19/h1,12-13,15H,5-11H2,2-3H3,(H,24,27)/t15-/m1/s1
InChIKey
IJNWNMSONKWWDE-OAHLLOKOSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

1 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 6.23  LDD1806 
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1 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Dynactin subunit 4 (DCTN4) LDTP13402 5.58  LDD1806 
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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
 LDD1806 
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