Details of the Probe

General Information of Probe

Probe ID
LDPC0348
Probe Name
C099
Synonyms
Z4225924657
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.4
Lipid-water partition coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H18N4O2S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
Canonical SMILES
CC1=C(N=C(O1)C2=CC=CS2)CC(=O)NCCC3(N=N3)CCC#C
InChI
InChI=1S/C17H18N4O2S/c1-3-4-7-17(20-21-17)8-9-18-15(22)11-13-12(2)23-16(19-13)14-6-5-10-24-14/h1,5-6,10H,4,7-9,11H2,2H3,(H,18,22)
InChIKey
RTVLQAFNZAUCJW-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

10 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.01  LDD1788 
Ceramide glucosyltransferase (UGCG) LDTP06617 4.92  LDD1788 
Cytochrome b5 type B (CYB5B) LDTP00697 6.50  LDD1788 
Heme oxygenase 2 (HMOX2) LDTP03540 7.52  LDD1788 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 7.52  LDD1788 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 9.85  LDD1788 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 12.04  LDD1788 
Methionine aminopeptidase 1 (METAP1) LDTP04565 5.70  LDD1788 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 4.92  LDD1788 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 8.69  LDD1788 
------------------------------------------------------------------------------------
⏷ Show the Full List of 10 Enzyme
8 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 9.99  LDD1788 
Lysosome membrane protein 2 (SCARB2) LDTP06034 7.01  LDD1788 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 9.32  LDD1788 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 17.15  LDD1788 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 6.45  LDD1788 
Mpv17-like protein 2 (MPV17L2) LDTP14952 9.06  LDD1788 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.02  LDD1788 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.21  LDD1788 
------------------------------------------------------------------------------------
⏷ Show the Full List of 8 Transporter and channel
3 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 5.13  LDD1788 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 10.63  LDD1788 
Nucleobindin-1 (NUCB1) LDTP05375 6.36  LDD1788 
------------------------------------------------------------------------------------

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
 LDD1788 
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