Details of the Probe

General Information of Probe

Probe ID	LDPC0149
Probe Name	ART-yne
Synonyms	CHEMBL3601161
Probe Type	ABPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	322.4
	Lipid-water partition coefficient (xlogp)	3.2
	Rotatable Bond Count (rotbonds)	2
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C18H26O5 IUPAC Name (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-prop-2-ynoxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane Canonical SMILES CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC#C)C InChI InChI=1S/C18H26O5/c1-5-10-19-15-12(3)14-7-6-11(2)13-8-9-17(4)21-16(20-15)18(13,14)23-22-17/h1,11-16H,6-10H2,2-4H3/t11-,12-,13+,14+,15+,16-,17-,18-/m1/s1 InChIKey NVEPSTWUQUGTGZ-QOBNMGNYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

3 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
3-ketodihydrosphingosine reductase (KDSR)	LDTP05476	2.10	LDD0234
Cytochrome P450 1A1 (CYP1A1)	LDTP02054	1.68	LDD0234
Palmitoyltransferase ZDHHC6 (ZDHHC6)	LDTP11994	3.32	LDD0234
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2 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Choline transporter-like protein 1 (SLC44A1)	LDTP09651	1.78	LDD0234
Reactive oxygen species modulator 1 (ROMO1)	LDTP04873	2.12	LDD0234
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Competitor(s) Related To This Probe

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0091	Astemisinin	50 mM		Human invasive breast carcinoma cells (MCF-7)	[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

50 mM

Quantitative Method

LFQ

Competitor Name

Astemisinin

Competitor Concentration

50 mM

In Vitro Experiment Model

Model Type

Living cell

Derived Tissue

Breast

Disease Model

Invasive breast carcinoma [ICD-11:2C60]

Model Name

Human invasive breast carcinoma cells (MCF-7)

Interaction Atlas ID

LDD0234

References

1	Artemisinin inhibits NRas palmitoylation by targeting the protein acyltransferase ZDHHC6. Cell Chem Biol. 2022 Mar 17;29(3):530-537.e7. doi: 10.1016/j.chembiol.2021.07.012. Epub 2021 Aug 5.