Details of the Probe

General Information of Probe

Probe ID	LDPC0529
Probe Name	C300
Synonyms	Z3433405940
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	321.8
	Lipid-water partition coefficient (xlogp)	2.2
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C15H20ClN5O IUPAC Name N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)acetamide Canonical SMILES CCC1=NN(C(=C1Cl)CC(=O)NCCC2(N=N2)CCC#C)C InChI InChI=1S/C15H20ClN5O/c1-4-6-7-15(19-20-15)8-9-17-13(22)10-12-14(16)11(5-2)18-21(12)3/h1H,5-10H2,2-3H3,(H,17,22) InChIKey OXBRGAZDPQBVCD-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

7 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
DNA replication licensing factor MCM4 (MCM4)	LDTP03680	7.16	LDD1969
Glyoxalase domain-containing protein 4 (GLOD4)	LDTP16040	5.74	LDD1969
Heme oxygenase 2 (HMOX2)	LDTP03540	6.15	LDD1969
Lysosomal Pro-X carboxypeptidase (PRCP)	LDTP04004	7.21	LDD1969
Proteasome subunit beta type-2 (PSMB2)	LDTP04285	7.57	LDD1969
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA)	LDTP04246	14.22	LDD1969
Puromycin-sensitive aminopeptidase (NPEPPS)	LDTP04712	8.46	LDD1969
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⏷ Show the Full List of 7 Enzyme

8 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1)	LDTP03277	12.38	LDD1969
Lysosome membrane protein 2 (SCARB2)	LDTP06034	7.67	LDD1969
Metaxin-1 (MTX1)	LDTP05900	5.10	LDD1969
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20)	LDTP00865	6.15	LDD1969
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B)	LDTP01059	6.50	LDD1969
Mpv17-like protein 2 (MPV17L2)	LDTP14952	5.66	LDD1969
Protein GPR107 (GPR107)	LDTP07236	5.46	LDD1969
Sigma intracellular receptor 2 (TMEM97)	LDTP06945	4.99	LDD1969
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⏷ Show the Full List of 8 Transporter and channel

10 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Apolipoprotein L2 (APOL2)	LDTP11076	6.28	LDD1969
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2)	LDTP13755	5.78	LDD1969
Centrosomal protein 43 (CEP43)	LDTP01652	5.54	LDD1969
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3)	LDTP13828	5.17	LDD1969
Large proline-rich protein BAG6 (BAG6)	LDTP04094	6.68	LDD1969
Mammalian ependymin-related protein 1 (EPDR1)	LDTP13606	7.01	LDD1969
Mitochondrial import receptor subunit TOM22 homolog (TOMM22)	LDTP12565	5.35	LDD1969
Nucleobindin-2 (NUCB2)	LDTP05160	5.74	LDD1969
Poly(U)-binding-splicing factor PUF60 (PUF60)	LDTP13311	18.38	LDD1969
Protein unc-119 homolog B (UNC119B)	LDTP00105	7.52	LDD1969
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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

LDD1969

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