Details of the Probe

General Information of Probe

Probe ID
LDPC0290
Probe Name
C024
Synonyms
Z4225940040
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 323.34
Lipid-water partition coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H19F2N5O
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide
Canonical SMILES
CC1=C(C(=NN1CC(F)F)C)C(=O)NCCC2(N=N2)CCC#C
InChI
InChI=1S/C15H19F2N5O/c1-4-5-6-15(20-21-15)7-8-18-14(23)13-10(2)19-22(11(13)3)9-12(16)17/h1,12H,5-9H2,2-3H3,(H,18,23)
InChIKey
HBXHCILQSPRVGH-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

12 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 6.11  LDD1730 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 6.11  LDD1730 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.90  LDD1730 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.90  LDD1730 
Ferrochelatase, mitochondrial (FECH) LDTP03198 17.51  LDD1730 
Ferrochelatase, mitochondrial (FECH) LDTP03198 17.51  LDD1730 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 6.15  LDD1730 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 6.15  LDD1730 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.15  LDD1730 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.15  LDD1730 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 5.46  LDD1730 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 5.46  LDD1730 
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⏷ Show the Full List of 12 Enzyme
8 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 5.13  LDD1730 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 5.13  LDD1730 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.66  LDD1730 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.66  LDD1730 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 11.00  LDD1730 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 11.00  LDD1730 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 4.92  LDD1730 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 4.92  LDD1730 
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⏷ Show the Full List of 8 Transporter and channel
6 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Dymeclin (DYM) LDTP08000 5.06  LDD1730 
Dymeclin (DYM) LDTP08000 5.06  LDD1730 
Large proline-rich protein BAG6 (BAG6) LDTP04094 7.67  LDD1730 
Large proline-rich protein BAG6 (BAG6) LDTP04094 7.67  LDD1730 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 13.36  LDD1730 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 13.36  LDD1730 
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⏷ Show the Full List of 6 Other

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
 LDD1730 
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