Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0085
Competitor Name
WA
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 530.658
Lipid-water partition coefficient (xlogp) 2.9728
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C30H42O8
Canonical SMILES
CC(=O)OC1CC(C(C)C2CC(C)C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12O
InChI
InChI=1S/C30H42O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,14-16,18-21,23-25,33,35H,9-13H2,1-6H3/t14?,15?,16-,18?,19?,20?,21+,23-,24-,25+,27+,28-,29+,30+/m0/s1
InChIKey
PGXQZNVHEMFOJJ-RNYRGHQFSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
WP
 Probe Info  		8 uM Human lung adenocarcinoma cells (NCI-H1975) [1]

Target(s) List of this Competitor

7 Enzyme Competed by This Competitor
Target Name Target ID Binding 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 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 
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⏷ Show the Full List of 7 Enzyme
2 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 2.25  LDD0192 
WW domain-binding protein 2 (WBP2) LDTP10033 2.79  LDD0192 
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Full Information of The Labelling Profiles of This Competitor

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 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.