Details of the Probe

General Information of Probe

Probe ID
LDPC0427
Probe Name
C190
Synonyms
Z4286591700
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.37
Lipid-water partition coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H22N4O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-oxo-1,3,3a,4,5,6,7,7a-octahydroindole-6-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2CCC3CC(=O)NC3C2
InChI
InChI=1S/C16H22N4O2/c1-2-3-6-16(19-20-16)7-8-17-15(22)12-5-4-11-10-14(21)18-13(11)9-12/h1,11-13H,3-10H2,(H,17,22)(H,18,21)
InChIKey
NHFUTIIVTNUFJJ-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
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 5.39  LDD1867 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 5.39  LDD1867 
Carboxymethylenebutenolidase homolog (CMBL) LDTP10215 6.63  LDD1867 
Carboxymethylenebutenolidase homolog (CMBL) LDTP10215 6.63  LDD1867 
Dihydropteridine reductase (QDPR) LDTP02342 5.94  LDD1867 
Dihydropteridine reductase (QDPR) LDTP02342 5.94  LDD1867 
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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 S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 4.96  LDD1867 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 4.96  LDD1867 
Protein ERGIC-53 (LMAN1) LDTP04237 6.54  LDD1867 
Protein ERGIC-53 (LMAN1) LDTP04237 6.54  LDD1867 
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4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Large ribosomal subunit protein eL43 (RPL37A) LDTP04926 5.66  LDD1867 
Large ribosomal subunit protein eL43 (RPL37A) LDTP04926 5.66  LDD1867 
UPF0488 protein C8orf33 (C8orf33) LDTP12025 7.89  LDD1867 
UPF0488 protein C8orf33 (C8orf33) LDTP12025 7.89  LDD1867 
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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
 LDD1867 
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