Details of the Probe

General Information of Probe

Probe ID
LDPC0613
Probe Name
C394
Synonyms
Z3433404906
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 349.4
Lipid-water partition coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H19N5O3S
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide
Canonical SMILES
CN1C(=C2CS(=O)(=O)CCC2=N1)C(=O)NCCC3(N=N3)CCC#C
InChI
InChI=1S/C15H19N5O3S/c1-3-4-6-15(18-19-15)7-8-16-14(21)13-11-10-24(22,23)9-5-12(11)17-20(13)2/h1H,4-10H2,2H3,(H,16,21)
InChIKey
SGOSEKKELHDULT-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
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 8.94  LDD2053 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 6.50  LDD2053 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 6.15  LDD2053 
Exonuclease 1 (EXO1) LDTP13751 8.11  LDD2053 
Lathosterol oxidase (SC5D) LDTP01329 13.27  LDD2053 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 6.87  LDD2053 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.28  LDD2053 
Phospholipase A2 group XV (PLA2G15) LDTP09088 7.36  LDD2053 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.73  LDD2053 
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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
Iron-sulfur clusters transporter ABCB7, mitochondrial (ABCB7) LDTP01100 5.50  LDD2053 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 7.01  LDD2053 
Mpv17-like protein 2 (MPV17L2) LDTP14952 21.71  LDD2053 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 6.23  LDD2053 
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5 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 16.45  LDD2053 
Neudesin (NENF) LDTP13630 6.77  LDD2053 
Nucleobindin-2 (NUCB2) LDTP05160 7.01  LDD2053 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 5.86  LDD2053 
RNA-binding protein 3 (RBM3) LDTP05226 4.99  LDD2053 
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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
 LDD2053 
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