Details of the Probe

General Information of Probe

Probe ID	LDPC0628
Probe Name	C412
Synonyms	Z4225959156
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	288.35
	Lipid-water partition coefficient (xlogp)	1.3
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	2
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C14H20N6O IUPAC Name N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2,2-dimethyl-3-(2H-triazol-4-yl)propanamide Canonical SMILES CC(C)(CC1=NNN=C1)C(=O)NCCC2(N=N2)CCC#C InChI InChI=1S/C14H20N6O/c1-4-5-6-14(18-19-14)7-8-15-12(21)13(2,3)9-11-10-16-20-17-11/h1,10H,5-9H2,2-3H3,(H,15,21)(H,16,17,20) InChIKey QIYQCOMAVZHKQX-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

1 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Protein NipSnap homolog 2 (NIPSNAP2)	LDTP01174	9.51	LDD2068
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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

LDD2068

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