Details of the Probe

General Information of Probe

Probe ID
LDPC0129
Probe Name
WP
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 610.744
Lipid-water partition coefficient (xlogp) 3.9371
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C35H46O9
Canonical SMILES
C#CCCC(=O)OC1C=CC(=O)C2(C)C3CCC4(C)C(C(C)C5CC(C)C(C)C(=O)O5)CC(OC(C)=O)C4(O)C3CC3OC132
InChI
InChI=1S/C35H46O9/c1-8-9-10-30(38)43-27-12-11-26(37)33(7)22-13-14-32(6)23(20(4)25-15-18(2)19(3)31(39)42-25)16-28(41-21(5)36)34(32,40)24(22)17-29-35(27,33)44-29/h1,11-12,18-20,22-25,27-29,40H,9-10,13-17H2,2-7H3/t18?,19?,20-,22?,23?,24?,25+,27-,28-,29+,32+,33-,34+,35+/m0/s1
InChIKey
ZGKYBYQQBKGDFF-YBSFGTROSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

7 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase assembly factor 7 (COA7) LDTP10137 2.70  LDD0192 
Peptidyl-prolyl cis-trans isomerase D (PPID) LDTP05573 2.49  LDD0192 
Peroxiredoxin-6 (PRDX6) LDTP03510 C47(2.92)  LDD0192 
RAC-alpha serine/threonine-protein kinase (AKT1) LDTP03607 2.37  LDD0192 
Ribosomal protein S6 kinase beta-1 (RPS6KB1) LDTP03229 2.74  LDD0192 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 2.59  LDD0192 
Tyrosine-protein kinase CSK (CSK) LDTP03944 2.49  LDD0192 
------------------------------------------------------------------------------------
⏷ Show the Full List of 7 Enzyme
2 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 2.25  LDD0192 
WW domain-binding protein 2 (WBP2) LDTP10033 2.79  LDD0192 
------------------------------------------------------------------------------------

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0085  WA 20 uM Human lung adenocarcinoma cells (NCI-H1975) [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
8 uM
Quantitative Method
SILAC
Competitor Name
WA
 Competitor Info 
Competitor Concentration
20 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Lung
Disease Model
Lung adenocarcinoma [ICD-11:2C25]
Model Name
Human lung adenocarcinoma cells (NCI-H1975)
Interaction Atlas ID
 LDD0192 
Download The Altas

References

1 Identification of peroxiredoxin 6 as a direct target of withangulatin A by quantitative chemical proteomics in non-small cell lung cancer. Redox Biol. 2021 Oct;46:102130. doi: 10.1016/j.redox.2021.102130. Epub 2021 Sep 9.