Details of the Probe

General Information of Probe

Probe ID	LDPC0055
Probe Name	D5yne
Probe Type	ABPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	421.324
	Lipid-water partition coefficient (xlogp)	2.796
	Rotatable Bond Count (rotbonds)	5
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C21H22Cl2N2O3 Canonical SMILES C#Cc1cc(Cl)c(Cl)c(C2CC(=O)C(=CNCCN3CCOCC3)C(=O)C2)c1 InChI InChI=1S/C21H22Cl2N2O3/c1-2-14-9-16(21(23)18(22)10-14)15-11-19(26)17(20(27)12-15)13-24-3-4-25-5-7-28-8-6-25/h1,9-10,13,15,24H,3-8,11-12H2/b17-13- InChIKey HCYORLAKXXXUTR-LGMDPLHJSA-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
3-ketodihydrosphingosine reductase (KDSR)	LDTP05476	2.69	LDD0055
Casein kinase II subunit alpha' (CSNK2A2)	LDTP03011	1.65	LDD0055
Epoxide hydrolase 1 (EPHX1)	LDTP02175	2.56	LDD0055
Phosphoglucomutase-1 (PGM1)	LDTP03818	1.90	LDD0055
Polypeptide N-acetylgalactosaminyltransferase 2 (GALNT2)	LDTP05623	1.98	LDD0055
Serum paraoxonase/arylesterase 2 (PON2)	LDTP06333	7.53	LDD0055
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⏷ Show the Full List of 6 Enzyme

2 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Interferon-induced transmembrane protein 3 (IFITM3)	LDTP05302	1.65	LDD0055
Lysosome membrane protein 2 (SCARB2)	LDTP06034	11.37	LDD0055
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8 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Glycolipid transfer protein (GLTP)	LDTP12891	3.73	LDD0055
Large ribosomal subunit protein P2 (RPLP2)	LDTP02108	1.66	LDD0055
Microtubule-associated proteins 1A/1B light chain 3B (MAP1LC3B)	LDTP11637	K49(100.00)	LDD0055
Nicastrin (NCSTN)	LDTP09787	1.66	LDD0055
Protein jagunal homolog 1 (JAGN1)	LDTP08904	1.58	LDD0055
Syntaxin-12 (STX12)	LDTP08389	2.26	LDD0055
Syntaxin-7 (STX7)	LDTP00632	3.76	LDD0055
Transmembrane protein 43 (TMEM43)	LDTP11210	1.52	LDD0055
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⏷ Show the Full List of 8 Other

Competitor(s) Related To This Probe

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0095	DC-LC3IN-D5	25 uM		Human endocervical adenocarcinoma cells (HeLa)	[1]

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs (Probe+Competitor)

Experiment 1 Reporting the Labelling Profiles of This Probe

REF [1]

Probe concentration

5 uM

Quantitative Method

LFQ

Competitor Name

DC-LC3IN-D5

Competitor Concentration

25 uM

In Vitro Experiment Model

Model Type

Living cell

Derived Tissue

Cervix uteri

Disease Model

Endocervical adenocarcinoma [ICD-11:2C77]

Model Name

Human endocervical adenocarcinoma cells (HeLa)

Interaction Atlas ID

LDD0055

References

1	Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein. Angew Chem Int Ed Engl. 2021 Dec 6;60(50):26105-26114. doi: 10.1002/anie.202109464. Epub 2021 Nov 5. Mass spectrometry data entry: PXD026874