Details of the Probe

General Information of Probe

Probe ID	LDPC0474
Probe Name	C241
Probe Type	PAL-AfBPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	328.416
	Lipid-water partition coefficient (xlogp)	2.1459
	Rotatable Bond Count (rotbonds)	7
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C18H24N4O2 Canonical SMILES C#CCCC1(CCC(=O)NC23CC(N4CCCCC4=O)(C2)C3)N=N1 InChI InChI=1S/C18H24N4O2/c1-2-3-8-18(20-21-18)9-7-14(23)19-16-11-17(12-16,13-16)22-10-5-4-6-15(22)24/h1H,3-13H2,(H,19,23) InChIKey PMYMGCWMOZQPTG-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

6 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Ceramide synthase 1 (CERS1)	LDTP03394	5.78	LDD1914
Glutathione S-transferase A4 (GSTA4)	LDTP00575	6.41	LDD1914
Prolyl 3-hydroxylase 1 (P3H1)	LDTP06750	22.16	LDD1914
Prostaglandin reductase 2 (PTGR2)	LDTP08979	7.41	LDD1914
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D)	LDTP00907	9.65	LDD1914
S-methyl-5'-thioadenosine phosphorylase (MTAP)	LDTP05758	5.78	LDD1914
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⏷ Show the Full List of 6 Enzyme

1 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20)	LDTP00865	6.73	LDD1914
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6 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2)	LDTP13755	10.85	LDD1914
Clustered mitochondria protein homolog (CLUH)	LDTP14486	5.94	LDD1914
Neuferricin (CYB5D2)	LDTP15623	9.25	LDD1914
Protein unc-119 homolog B (UNC119B)	LDTP00105	9.13	LDD1914
Rab GDP dissociation inhibitor beta (GDI2)	LDTP04355	5.28	LDD1914
Tetratricopeptide repeat protein 38 (TTC38)	LDTP19372	4.92	LDD1914
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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

LDD1914

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