Details of the Probe

General Information of Probe

Probe ID	LDPC0384
Probe Name	C142
Synonyms	Z3462042518
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	328.4
	Lipid-water partition coefficient (xlogp)	1.7
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	6
Chemical Identifiers	Formula C17H20N4O3 IUPAC Name N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide Canonical SMILES C#CCCC1(N=N1)CCNC(=O)C2=CC(=NC=C2)OC3CCOC3 InChI InChI=1S/C17H20N4O3/c1-2-3-6-17(20-21-17)7-9-19-16(22)13-4-8-18-15(11-13)24-14-5-10-23-12-14/h1,4,8,11,14H,3,5-7,9-10,12H2,(H,19,22) InChIKey PEUORYZYAXXXOV-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

13 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Apoptosis-inducing factor 1, mitochondrial (AIFM1)	LDTP01687	7.67	LDD1824
dCTP pyrophosphatase 1 (DCTPP1)	LDTP12013	5.21	LDD1824
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1)	LDTP05724	10.78	LDD1824
Epoxide hydrolase 1 (EPHX1)	LDTP02175	8.51	LDD1824
Exonuclease 1 (EXO1)	LDTP13751	5.03	LDD1824
Lysosomal Pro-X carboxypeptidase (PRCP)	LDTP04004	13.83	LDD1824
NAD(P) transhydrogenase, mitochondrial (NNT)	LDTP05862	6.23	LDD1824
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10)	LDTP12628	26.72	LDD1824
Prostaglandin reductase 3 (PTGR3)	LDTP15422	10.27	LDD1824
Puromycin-sensitive aminopeptidase (NPEPPS)	LDTP04712	6.32	LDD1824
Retinoid-inducible serine carboxypeptidase (SCPEP1)	LDTP16032	4.99	LDD1824
Squalene synthase (FDFT1)	LDTP03842	5.35	LDD1824
Trifunctional enzyme subunit alpha, mitochondrial (HADHA)	LDTP03912	5.50	LDD1824
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⏷ Show the Full List of 13 Enzyme

7 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Magnesium transporter NIPA3 (NIPAL1)	LDTP17362	12.04	LDD1824
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20)	LDTP00865	5.82	LDD1824
Mpv17-like protein 2 (MPV17L2)	LDTP14952	10.56	LDD1824
Peroxisomal membrane protein 2 (PXMP2)	LDTP16069	8.69	LDD1824
Solute carrier family 35 member F2 (SLC35F2)	LDTP17641	8.94	LDD1824
Transmembrane protein 205 (TMEM205)	LDTP07667	22.47	LDD1824
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1)	LDTP09968	7.94	LDD1824
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⏷ Show the Full List of 7 Transporter and channel

4 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Large proline-rich protein BAG6 (BAG6)	LDTP04094	8.34	LDD1824
Neuferricin (CYB5D2)	LDTP15623	7.52	LDD1824
Protein unc-119 homolog B (UNC119B)	LDTP00105	6.32	LDD1824
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5)	LDTP15634	5.58	LDD1824
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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

LDD1824

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