Details of the Probe

General Information of Probe

Probe ID	LDPC0290
Probe Name	C024
Synonyms	Z4225940040
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	323.34
	Lipid-water partition coefficient (xlogp)	2.3
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	6
Chemical Identifiers	Formula C15H19F2N5O IUPAC Name N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide Canonical SMILES CC1=C(C(=NN1CC(F)F)C)C(=O)NCCC2(N=N2)CCC#C InChI InChI=1S/C15H19F2N5O/c1-4-5-6-15(20-21-15)7-8-18-14(23)13-10(2)19-22(11(13)3)9-12(16)17/h1,12H,5-9H2,2-3H3,(H,18,23) InChIKey HBXHCILQSPRVGH-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
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1)	LDTP03560	6.11	LDD1730
Epoxide hydrolase 1 (EPHX1)	LDTP02175	5.90	LDD1730
Ferrochelatase, mitochondrial (FECH)	LDTP03198	17.51	LDD1730
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM)	LDTP12253	6.15	LDD1730
Lysosomal Pro-X carboxypeptidase (PRCP)	LDTP04004	6.15	LDD1730
Retinal dehydrogenase 2 (ALDH1A2)	LDTP01419	5.46	LDD1730
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⏷ Show the Full List of 6 Enzyme

4 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
MFS-type transporter SLC18B1 (SLC18B1)	LDTP07462	5.13	LDD1730
Scavenger receptor class B member 1 (SCARB1)	LDTP09547	5.66	LDD1730
Sigma non-opioid intracellular receptor 1 (SIGMAR1)	LDTP10958	11.00	LDD1730
Solute carrier family 35 member F2 (SLC35F2)	LDTP17641	4.92	LDD1730
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3 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Dymeclin (DYM)	LDTP08000	5.06	LDD1730
Large proline-rich protein BAG6 (BAG6)	LDTP04094	7.67	LDD1730
Tetratricopeptide repeat protein 38 (TTC38)	LDTP19372	13.36	LDD1730
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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

LDD1730

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