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

18 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 8.94  LDD2053 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 8.94  LDD2053 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 6.50  LDD2053 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 6.50  LDD2053 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 6.15  LDD2053 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 6.15  LDD2053 
Exonuclease 1 (EXO1) LDTP13751 8.11  LDD2053 
Exonuclease 1 (EXO1) LDTP13751 8.11  LDD2053 
Lathosterol oxidase (SC5D) LDTP01329 13.27  LDD2053 
Lathosterol oxidase (SC5D) LDTP01329 13.27  LDD2053 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 6.87  LDD2053 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 6.87  LDD2053 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.28  LDD2053 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.28  LDD2053 
Phospholipase A2 group XV (PLA2G15) LDTP09088 7.36  LDD2053 
Phospholipase A2 group XV (PLA2G15) LDTP09088 7.36  LDD2053 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.73  LDD2053 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.73  LDD2053 
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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
Iron-sulfur clusters transporter ABCB7, mitochondrial (ABCB7) LDTP01100 5.50  LDD2053 
Iron-sulfur clusters transporter ABCB7, mitochondrial (ABCB7) LDTP01100 5.50  LDD2053 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 7.01  LDD2053 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 7.01  LDD2053 
Mpv17-like protein 2 (MPV17L2) LDTP14952 21.71  LDD2053 
Mpv17-like protein 2 (MPV17L2) LDTP14952 21.71  LDD2053 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 6.23  LDD2053 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 6.23  LDD2053 
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⏷ Show the Full List of 8 Transporter and channel
10 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 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 16.45  LDD2053 
Neudesin (NENF) LDTP13630 6.77  LDD2053 
Neudesin (NENF) LDTP13630 6.77  LDD2053 
Nucleobindin-2 (NUCB2) LDTP05160 7.01  LDD2053 
Nucleobindin-2 (NUCB2) LDTP05160 7.01  LDD2053 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 5.86  LDD2053 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 5.86  LDD2053 
RNA-binding protein 3 (RBM3) LDTP05226 4.99  LDD2053 
RNA-binding protein 3 (RBM3) LDTP05226 4.99  LDD2053 
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⏷ Show the Full List of 10 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
 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