Details of the Probe

General Information of Probe

Probe ID	LDPC0295
Probe Name	C035
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	322.412
	Lipid-water partition coefficient (xlogp)	3.3592
	Rotatable Bond Count (rotbonds)	9
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C19H22N4O Canonical SMILES [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])n2c([H])c([H])c3c([H])c([H])c([H])c([H])c32)N=N1 InChI InChI=1S/C19H22N4O/c1-3-4-10-19(21-22-19)11-12-20-18(24)15(2)14-23-13-9-16-7-5-6-8-17(16)23/h1,5-9,13,15H,4,10-12,14H2,2H3,(H,20,24)/t15-/m0/s1 InChIKey IPFHWUHSCKTOHD-HNNXBMFYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

2 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Solute carrier family 25 member 32 (SLC25A32)	LDTP11813	17.75	LDD1735
Solute carrier family 25 member 32 (SLC25A32)	LDTP11813	17.75	LDD1735
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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

LDD1735

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