Details of the Probe

General Information of Probe

Probe ID	LDPC0324
Probe Name	C068
Synonyms	Z4282859950
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	330.4
	Lipid-water partition coefficient (xlogp)	2.2
	Rotatable Bond Count (rotbonds)	7
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C18H26N4O2 IUPAC Name 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide Canonical SMILES C#CCCC1(N=N1)CCC(=O)NC2CCN(C2=O)C3CCCCC3 InChI InChI=1S/C18H26N4O2/c1-2-3-11-18(20-21-18)12-9-16(23)19-15-10-13-22(17(15)24)14-7-5-4-6-8-14/h1,14-15H,3-13H2,(H,19,23) InChIKey UINSKFPVILOAQR-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
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP)	LDTP06618	6.59	LDD1764
Beta-galactosidase (GLB1)	LDTP02837	5.62	LDD1764
Delta(14)-sterol reductase LBR (LBR)	LDTP06200	4.92	LDD1764
Delta(14)-sterol reductase TM7SF2 (TM7SF2)	LDTP01389	7.84	LDD1764
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1)	LDTP10188	15.24	LDD1764
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1)	LDTP11273	7.57	LDD1764
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⏷ Show the Full List of 6 Enzyme

3 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20)	LDTP00865	6.23	LDD1764
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B)	LDTP01059	6.15	LDD1764
Sigma intracellular receptor 2 (TMEM97)	LDTP06945	5.21	LDD1764
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2 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2)	LDTP13755	4.96	LDD1764
Large ribosomal subunit protein mL64 (GADD45GIP1)	LDTP09297	7.11	LDD1764
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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

LDD1764

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