Details of the Probe

General Information of Probe

Probe ID	LDPC0284
Probe Name	C015
Probe Type	PAL-AfBPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	288.395
	Lipid-water partition coefficient (xlogp)	1.941
	Rotatable Bond Count (rotbonds)	6
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C16H24N4O Canonical SMILES C#CCCC1(CCC(=O)NC2CC3CCC2N(C)C3)N=N1 InChI InChI=1S/C16H24N4O/c1-3-4-8-16(18-19-16)9-7-15(21)17-13-10-12-5-6-14(13)20(2)11-12/h1,12-14H,4-11H2,2H3,(H,17,21) InChIKey RNASXFYJEKSQDN-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

2 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Probable serine carboxypeptidase CPVL (CPVL)	LDTP15988	5.24	LDD1724
Retinoid-inducible serine carboxypeptidase (SCPEP1)	LDTP16032	5.46	LDD1724
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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

LDD1724

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