Details of the Probe

General Information of Probe

Probe ID
LDPC0504
Probe Name
C274
Synonyms
Z4286591559
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 366.4
Lipid-water partition coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H22N6O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-cyclopropyl-2-ethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxamide
Canonical SMILES
CCN1C(=C2C(=CC(=O)NC2=N1)C(=O)NCCC3(N=N3)CCC#C)C4CC4
InChI
InChI=1S/C19H22N6O2/c1-3-5-8-19(23-24-19)9-10-20-18(27)13-11-14(26)21-17-15(13)16(12-6-7-12)25(4-2)22-17/h1,11-12H,4-10H2,2H3,(H,20,27)(H,21,22,26)
InChIKey
VUMOBVLBQYBKEV-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

13 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 11.47  LDD1944 
ATP synthase subunit beta, mitochondrial (ATP5F1B) LDTP02150 11.63  LDD1944 
Choline kinase alpha (CHKA) LDTP03787 5.66  LDD1944 
Electron transfer flavoprotein subunit beta (ETFB) LDTP03849 23.26  LDD1944 
Glutathione S-transferase A4 (GSTA4) LDTP00575 7.94  LDD1944 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 6.82  LDD1944 
Phospholipase A2 group XV (PLA2G15) LDTP09088 5.90  LDD1944 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.10  LDD1944 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 5.39  LDD1944 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 6.36  LDD1944 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 5.35  LDD1944 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 8.40  LDD1944 
TLC domain-containing protein 1 (TLCD1) LDTP10182 14.03  LDD1944 
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⏷ Show the Full List of 13 Enzyme
6 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 6.77  LDD1944 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.63  LDD1944 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 6.19  LDD1944 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 6.15  LDD1944 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.66  LDD1944 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 56.49  LDD1944 
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⏷ Show the Full List of 6 Transporter and channel
5 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adapter SH3BGRL (SH3BGRL) LDTP01196 5.24  LDD1944 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.96  LDD1944 
Neudesin (NENF) LDTP13630 10.78  LDD1944 
Neuferricin (CYB5D2) LDTP15623 5.46  LDD1944 
Peroxisomal membrane protein 11C (PEX11G) LDTP10381 5.86  LDD1944 
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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
 LDD1944 
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