Details of the Probe

General Information of Probe

Probe ID
LDPC0438
Probe Name
C203
Synonyms
Z3410163852
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 352.4
Lipid-water partition coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C17H20N8O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NC2CCN(C2)C3=NN4C=NN=C4C=C3
InChI
InChI=1S/C17H20N8O/c1-2-3-8-17(22-23-17)9-6-16(26)19-13-7-10-24(11-13)15-5-4-14-20-18-12-25(14)21-15/h1,4-5,12-13H,3,6-11H2,(H,19,26)
InChIKey
YZDMPTYAXPPQAE-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

9 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.06  LDD1878 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 15.67  LDD1878 
Epoxide hydrolase 1 (EPHX1) LDTP02175 9.85  LDD1878 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 16.68  LDD1878 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.03  LDD1878 
Poly [ADP-ribose] polymerase 1 (PARP1) LDTP02375 8.82  LDD1878 
Poly [ADP-ribose] polymerase 2 (PARP2) LDTP13240 11.63  LDD1878 
Prostaglandin reductase 3 (PTGR3) LDTP15422 44.02  LDD1878 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 10.56  LDD1878 
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⏷ Show the Full List of 9 Enzyme
4 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 19.03  LDD1878 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.96  LDD1878 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.90  LDD1878 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.10  LDD1878 
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3 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Calumenin (CALU) LDTP00887 7.62  LDD1878 
Protein CutA (CUTA) LDTP01075 12.21  LDD1878 
U6 snRNA-associated Sm-like protein LSm2 (LSM2) LDTP13946 7.46  LDD1878 
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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
 LDD1878 
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