Details of the Probe

General Information of Probe

Probe ID	LDPC0275
Probe Name	C006
Synonyms	Z4225953546
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	354.4
	Lipid-water partition coefficient (xlogp)	2.1
	Rotatable Bond Count (rotbonds)	7
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C19H26N6O IUPAC Name N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-cyclopentyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide Canonical SMILES C#CCCC1(N=N1)CCNC(=O)C2CCC3=C(C2)N(N=N3)C4CCCC4 InChI InChI=1S/C19H26N6O/c1-2-3-10-19(22-23-19)11-12-20-18(26)14-8-9-16-17(13-14)25(24-21-16)15-6-4-5-7-15/h1,14-15H,3-13H2,(H,20,26) InChIKey AJCGPDVUTMEEBC-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

15 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Adenosine kinase (ADK)	LDTP04689	6.23	LDD1715
Apoptosis-inducing factor 1, mitochondrial (AIFM1)	LDTP01687	6.15	LDD1715
Beta-galactosidase (GLB1)	LDTP02837	8.51	LDD1715
DCN1-like protein 4 (DCUN1D4)	LDTP09799	5.28	LDD1715
dCTP pyrophosphatase 1 (DCTPP1)	LDTP12013	6.32	LDD1715
Delta(24)-sterol reductase (DHCR24)	LDTP06375	5.06	LDD1715
E3 ubiquitin-protein ligase UBR2 (UBR2)	LDTP08565	6.41	LDD1715
Epoxide hydrolase 1 (EPHX1)	LDTP02175	15.03	LDD1715
Lanosterol synthase (LSS)	LDTP04183	6.32	LDD1715
N-alpha-acetyltransferase 40 (NAA40)	LDTP08265	10.06	LDD1715
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10)	LDTP12628	9.92	LDD1715
Prostaglandin reductase 1 (PTGR1)	LDTP06227	9.71	LDD1715
Prostaglandin reductase 3 (PTGR3)	LDTP15422	8.69	LDD1715
Proteasome subunit beta type-2 (PSMB2)	LDTP04285	4.99	LDD1715
Puromycin-sensitive aminopeptidase (NPEPPS)	LDTP04712	5.90	LDD1715
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⏷ Show the Full List of 15 Enzyme

10 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2)	LDTP02724	5.35	LDD1715
Major facilitator superfamily domain-containing protein 3 (MFSD3)	LDTP18153	6.28	LDD1715
Mitochondrial 2-oxodicarboxylate carrier (SLC25A21)	LDTP11095	26.35	LDD1715
Mitochondrial 2-oxoglutarate/malate carrier protein (SLC25A11)	LDTP05384	5.17	LDD1715
Mitochondrial import inner membrane translocase subunit TIM44 (TIMM44)	LDTP00821	6.50	LDD1715
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26)	LDTP07885	5.66	LDD1715
Mpv17-like protein 2 (MPV17L2)	LDTP14952	8.17	LDD1715
Sigma non-opioid intracellular receptor 1 (SIGMAR1)	LDTP10958	17.75	LDD1715
Solute carrier family 25 member 33 (SLC25A33)	LDTP11162	5.43	LDD1715
Transmembrane protein 126A (TMEM126A)	LDTP15948	5.17	LDD1715
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⏷ Show the Full List of 10 Transporter and channel

3 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2)	LDTP13755	8.40	LDD1715
Neuferricin (CYB5D2)	LDTP15623	5.43	LDD1715
Protein unc-119 homolog B (UNC119B)	LDTP00105	6.32	LDD1715
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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

LDD1715

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