Details of the Probe

General Information of Probe

Probe ID
LDPC0149
Probe Name
ART-yne
Synonyms
CHEMBL3601161
Probe Type
ABPP Probe
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

6 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 2.10  LDD0234 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 2.10  LDD0234 
Cytochrome P450 1A1 (CYP1A1) LDTP02054 1.68  LDD0234 
Cytochrome P450 1A1 (CYP1A1) LDTP02054 1.68  LDD0234 
Palmitoyltransferase ZDHHC6 (ZDHHC6) LDTP11994 3.32  LDD0234 
Palmitoyltransferase ZDHHC6 (ZDHHC6) LDTP11994 3.32  LDD0234 
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⏷ Show the Full List of 6 Enzyme
4 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 
Choline transporter-like protein 1 (SLC44A1) LDTP09651 1.78  LDD0234 
Reactive oxygen species modulator 1 (ROMO1) LDTP04873 2.12  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 Info 
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 
Download The Altas

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.