Details of the Probe

General Information of Probe

Probe ID	LDPC0420
Probe Name	C182
Synonyms	Z3410167652
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	381.5
	Lipid-water partition coefficient (xlogp)	1.3
	Rotatable Bond Count (rotbonds)	9
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	7
Chemical Identifiers	Formula C20H27N7O IUPAC Name 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]propanamide Canonical SMILES C#CCCC1(N=N1)CCC(=O)NC2(CC2)CN3CCN(CC3)C4=NC=CC=N4 InChI InChI=1S/C20H27N7O/c1-2-3-6-20(24-25-20)7-5-17(28)23-19(8-9-19)16-26-12-14-27(15-13-26)18-21-10-4-11-22-18/h1,4,10-11H,3,5-9,12-16H2,(H,23,28) InChIKey ISBNBDUIPPEKHD-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

11 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Delta(14)-sterol reductase LBR (LBR)	LDTP06200	9.38	LDD1860
Endothelin-converting enzyme 1 (ECE1)	LDTP04008	6.63	LDD1860
Leucyl-cystinyl aminopeptidase (LNPEP)	LDTP13358	7.06	LDD1860
Lysine-specific histone demethylase 2 (KDM1B)	LDTP09043	6.23	LDD1860
Lysosomal thioesterase PPT2 (PPT2)	LDTP13620	11.16	LDD1860
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1)	LDTP01982	6.45	LDD1860
Proteasome subunit beta type-2 (PSMB2)	LDTP04285	6.36	LDD1860
Proteasome subunit beta type-4 (PSMB4)	LDTP03417	6.23	LDD1860
RAC-beta serine/threonine-protein kinase (AKT2)	LDTP03608	5.74	LDD1860
Retinoid-inducible serine carboxypeptidase (SCPEP1)	LDTP16032	6.32	LDD1860
Squalene synthase (FDFT1)	LDTP03842	7.89	LDD1860
------------------------------------------------------------------------------------


⏷ Show the Full List of 11 Enzyme

6 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A)	LDTP10913	11.55	LDD1860
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B)	LDTP01059	24.42	LDD1860
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26)	LDTP07885	7.73	LDD1860
Protein tweety homolog 3 (TTYH3)	LDTP11615	6.41	LDD1860
Sigma intracellular receptor 2 (TMEM97)	LDTP06945	6.82	LDD1860
Solute carrier family 35 member F2 (SLC35F2)	LDTP17641	7.73	LDD1860
------------------------------------------------------------------------------------


⏷ Show the Full List of 6 Transporter and channel

7 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2)	LDTP13755	9.65	LDD1860
C-type mannose receptor 2 (MRC2)	LDTP13114	5.03	LDD1860
Clustered mitochondria protein homolog (CLUH)	LDTP14486	6.59	LDD1860
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L)	LDTP08689	6.73	LDD1860
Golgi apparatus protein 1 (GLG1)	LDTP09920	5.24	LDD1860
Mdm2-binding protein (MTBP)	LDTP15714	7.84	LDD1860
Ribonuclease inhibitor (RNH1)	LDTP02656	5.90	LDD1860
------------------------------------------------------------------------------------


⏷ Show the Full List of 7 Other

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

LDD1860

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