Details of the Probe

General Information of Probe

Probe ID	LDPC0322
Probe Name	C065
Synonyms	Z3433404796
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	334.32
	Lipid-water partition coefficient (xlogp)	2
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	2
	Hydrogen Bond Acceptor Count (hbondacc)	6
Chemical Identifiers	Formula C16H16F2N4O2 IUPAC Name N-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide Canonical SMILES C#CCCC1(N=N1)CCNC(=O)CNC(=O)C2=CC(=CC(=C2)F)F InChI InChI=1S/C16H16F2N4O2/c1-2-3-4-16(21-22-16)5-6-19-14(23)10-20-15(24)11-7-12(17)9-13(18)8-11/h1,7-9H,3-6,10H2,(H,19,23)(H,20,24) InChIKey GFRSZVIBJHFAEQ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

10 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
7-dehydrocholesterol reductase (DHCR7)	LDTP13131	4.96	LDD1762
Endoplasmic reticulum transmembrane helix translocase (ATP13A1)	LDTP12279	4.96	LDD1762
Heme oxygenase 1 (HMOX1)	LDTP02359	6.92	LDD1762
Heme oxygenase 2 (HMOX2)	LDTP03540	14.42	LDD1762
Lipid droplet-associated hydrolase (LDAH)	LDTP16007	6.15	LDD1762
Lysosomal Pro-X carboxypeptidase (PRCP)	LDTP04004	8.82	LDD1762
Prostaglandin reductase 3 (PTGR3)	LDTP15422	6.41	LDD1762
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA)	LDTP04246	5.98	LDD1762
Puromycin-sensitive aminopeptidase (NPEPPS)	LDTP04712	5.43	LDD1762
Ubiquitin carboxyl-terminal hydrolase 24 (USP24)	LDTP13720	5.13	LDD1762
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⏷ Show the Full List of 10 Enzyme

9 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
ATP synthase subunit a (MT-ATP6)	LDTP01804	14.72	LDD1762
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2)	LDTP02724	8.40	LDD1762
ER lumen protein-retaining receptor 1 (KDELR1)	LDTP03277	6.11	LDD1762
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20)	LDTP00865	5.58	LDD1762
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A)	LDTP10913	11.24	LDD1762
Mpv17-like protein 2 (MPV17L2)	LDTP14952	7.36	LDD1762
Peroxisomal membrane protein 2 (PXMP2)	LDTP16069	12.38	LDD1762
Protein GPR107 (GPR107)	LDTP07236	6.15	LDD1762
Sigma intracellular receptor 2 (TMEM97)	LDTP06945	5.98	LDD1762
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⏷ Show the Full List of 9 Transporter and channel

8 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Apolipoprotein L2 (APOL2)	LDTP11076	5.10	LDD1762
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3)	LDTP13828	5.31	LDD1762
Large proline-rich protein BAG6 (BAG6)	LDTP04094	5.06	LDD1762
Mitochondrial import receptor subunit TOM22 homolog (TOMM22)	LDTP12565	8.88	LDD1762
Nucleobindin-1 (NUCB1)	LDTP05375	10.06	LDD1762
Oxysterol-binding protein-related protein 6 (OSBPL6)	LDTP11533	5.13	LDD1762
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5)	LDTP15634	6.28	LDD1762
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6)	LDTP15067	8.06	LDD1762
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⏷ Show the Full List of 8 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

LDD1762

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