Details of the Probe

General Information of Probe

Probe ID	LDPC0278
Probe Name	C009
Synonyms	Z4282859902
Probe Type	PAL-AfBPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	332.4
	Lipid-water partition coefficient (xlogp)	2.4
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C18H28N4O2 IUPAC Name 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)propanamide Canonical SMILES CC(C)C(C(=O)N1CCCCC1)NC(=O)CCC2(N=N2)CCC#C InChI InChI=1S/C18H28N4O2/c1-4-5-10-18(20-21-18)11-9-15(23)19-16(14(2)3)17(24)22-12-7-6-8-13-22/h1,14,16H,5-13H2,2-3H3,(H,19,23) InChIKey OYOUBARNNZNMQX-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

3 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Lysosomal Pro-X carboxypeptidase (PRCP)	LDTP04004	5.78	LDD1718
Phospholipase A2 group XV (PLA2G15)	LDTP09088	5.03	LDD1718
Serum paraoxonase/arylesterase 2 (PON2)	LDTP06333	9.06	LDD1718
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1 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20)	LDTP00865	7.16	LDD1718
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1 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2)	LDTP13755	10.70	LDD1718
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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

LDD1718

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