Details of the Probe

General Information of Probe

Probe ID	LDPC0611
Probe Name	C392
Synonyms	Z3433407527
Probe Type	PAL-AfBPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	395.5
	Lipid-water partition coefficient (xlogp)	3.2
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	6
Chemical Identifiers	Formula C20H21N5O2S IUPAC Name N-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethylcarbamoyl]phenyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide Canonical SMILES CC1=C(SC=N1)C(=O)N(C)C2=CC=CC=C2C(=O)NCCC3(N=N3)CCC#C InChI InChI=1S/C20H21N5O2S/c1-4-5-10-20(23-24-20)11-12-21-18(26)15-8-6-7-9-16(15)25(3)19(27)17-14(2)22-13-28-17/h1,6-9,13H,5,10-12H2,2-3H3,(H,21,26) InChIKey SOGVQMANNTUSQM-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

14 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B)	LDTP10032	6.06	LDD2051
CAAX prenyl protease 1 homolog (ZMPSTE24)	LDTP01328	5.06	LDD2051
Choline kinase alpha (CHKA)	LDTP03787	11.55	LDD2051
Cytochrome b-c1 complex subunit 9 (UQCR10)	LDTP13189	5.13	LDD2051
Dihydrofolate reductase (DHFR)	LDTP01769	26.54	LDD2051
Glyoxalase domain-containing protein 4 (GLOD4)	LDTP16040	6.11	LDD2051
Lysophosphatidic acid phosphatase type 6 (ACP6)	LDTP12363	11.16	LDD2051
Lysosomal Pro-X carboxypeptidase (PRCP)	LDTP04004	10.06	LDD2051
Mitochondrial cardiolipin hydrolase (PLD6)	LDTP08790	7.78	LDD2051
Proteasome subunit beta type-2 (PSMB2)	LDTP04285	7.01	LDD2051
Protein O-GlcNAcase (OGA)	LDTP00988	5.54	LDD2051
Ras-related protein Rab-11B (RAB11B)	LDTP06501	5.74	LDD2051
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH)	LDTP15484	11.88	LDD2051
Serum paraoxonase/arylesterase 2 (PON2)	LDTP06333	23.26	LDD2051
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⏷ Show the Full List of 14 Enzyme

6 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1)	LDTP02645	5.98	LDD2051
Mpv17-like protein 2 (MPV17L2)	LDTP14952	5.58	LDD2051
Solute carrier family 35 member F2 (SLC35F2)	LDTP17641	6.77	LDD2051
STARD3 N-terminal-like protein (STARD3NL)	LDTP01671	5.06	LDD2051
Transmembrane protein 87A (TMEM87A)	LDTP15481	4.92	LDD2051
Voltage-dependent anion-selective channel protein 1 (VDAC1)	LDTP03132	6.54	LDD2051
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⏷ Show the Full List of 6 Transporter and channel

8 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3)	LDTP13902	18.64	LDD2051
Heat shock protein beta-1 (HSPB1)	LDTP02053	9.13	LDD2051
Mitochondrial import receptor subunit TOM5 homolog (TOMM5)	LDTP15420	6.92	LDD2051
Neudesin (NENF)	LDTP13630	7.62	LDD2051
Nucleobindin-1 (NUCB1)	LDTP05375	5.28	LDD2051
Nucleobindin-2 (NUCB2)	LDTP05160	8.46	LDD2051
RNA-binding protein 3 (RBM3)	LDTP05226	6.32	LDD2051
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6)	LDTP15067	6.87	LDD2051
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⏷ Show the Full List of 8 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

LDD2051

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