Details of the Probe

General Information of Probe

Probe ID
LDPC0552
Probe Name
C328
Synonyms
Z4286591626
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 405.5
Lipid-water partition coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C21H23N7O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
Canonical SMILES
CC1=CC(=C2C(=NOC2=N1)C3=C(N(N=C3C)C)C)C(=O)NCCC4(N=N4)CCC#C
InChI
InChI=1S/C21H23N7O2/c1-6-7-8-21(26-27-21)9-10-22-19(29)15-11-12(2)23-20-17(15)18(25-30-20)16-13(3)24-28(5)14(16)4/h1,11H,7-10H2,2-5H3,(H,22,29)
InChIKey
FLAPVVRHYVHNLV-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

11 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ADP-ribosylation factor-like protein 1 (ARL1) LDTP03900 14.52  LDD1992 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.63  LDD1992 
Glutathione hydrolase 7 (GGT7) LDTP13367 30.48  LDD1992 
Glycine--tRNA ligase (GARS1) LDTP03946 6.50  LDD1992 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 99.73  LDD1992 
NADPH--cytochrome P450 reductase (POR) LDTP02848 6.96  LDD1992 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.78  LDD1992 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 7.52  LDD1992 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.94  LDD1992 
Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform (PPP2R1A) LDTP03522 5.24  LDD1992 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 5.17  LDD1992 
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⏷ Show the Full List of 11 Enzyme
9 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 5.86  LDD1992 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 6.68  LDD1992 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.50  LDD1992 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 6.73  LDD1992 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.58  LDD1992 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 7.16  LDD1992 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.13  LDD1992 
Solute carrier family 35 member F1 (SLC35F1) LDTP15000 8.34  LDD1992 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.74  LDD1992 
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⏷ Show the Full List of 9 Transporter and channel
1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Neogenin (NEO1) LDTP09907 5.66  LDD1992 
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6 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 6.50  LDD1992 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 9.00  LDD1992 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 12.04  LDD1992 
Nucleobindin-2 (NUCB2) LDTP05160 5.21  LDD1992 
Programmed cell death protein 5 (PDCD5) LDTP00417 9.19  LDD1992 
Protein unc-119 homolog B (UNC119B) LDTP00105 4.99  LDD1992 
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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
 LDD1992 
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