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

18 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.06  LDD1878 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.06  LDD1878 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 15.67  LDD1878 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 15.67  LDD1878 
Epoxide hydrolase 1 (EPHX1) LDTP02175 9.85  LDD1878 
Epoxide hydrolase 1 (EPHX1) LDTP02175 9.85  LDD1878 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 16.68  LDD1878 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 16.68  LDD1878 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.03  LDD1878 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.03  LDD1878 
Poly [ADP-ribose] polymerase 1 (PARP1) LDTP02375 8.82  LDD1878 
Poly [ADP-ribose] polymerase 1 (PARP1) LDTP02375 8.82  LDD1878 
Poly [ADP-ribose] polymerase 2 (PARP2) LDTP13240 11.63  LDD1878 
Poly [ADP-ribose] polymerase 2 (PARP2) LDTP13240 11.63  LDD1878 
Prostaglandin reductase 3 (PTGR3) LDTP15422 44.02  LDD1878 
Prostaglandin reductase 3 (PTGR3) LDTP15422 44.02  LDD1878 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 10.56  LDD1878 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 10.56  LDD1878 
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⏷ Show the Full List of 18 Enzyme
8 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 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 19.03  LDD1878 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.96  LDD1878 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.96  LDD1878 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.90  LDD1878 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.90  LDD1878 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.10  LDD1878 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.10  LDD1878 
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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
Calumenin (CALU) LDTP00887 7.62  LDD1878 
Calumenin (CALU) LDTP00887 7.62  LDD1878 
Protein CutA (CUTA) LDTP01075 12.21  LDD1878 
Protein CutA (CUTA) LDTP01075 12.21  LDD1878 
U6 snRNA-associated Sm-like protein LSm2 (LSM2) LDTP13946 7.46  LDD1878 
U6 snRNA-associated Sm-like protein LSm2 (LSM2) LDTP13946 7.46  LDD1878 
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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
 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