Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0138
Competitor Name
KDT501
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 404.588
Lipid-water partition coefficient (xlogp) 0.1572
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H33KO5
Canonical SMILES
CC(C)CCC(=O)C1([O-])C(O)=C(C(=O)CC(C)C)C(=O)C1CCC(C)C.[K+]
InChI
InChI=1S/C21H33O5.K/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4;/h12-15,25H,7-11H2,1-6H3;/q-1;+1/t15?,21-;/m0./s1
InChIKey
OBRIOHODJVKWGS-OPHSLRPESA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 3 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
OEA-DA
 Probe Info  		10 uM Human normal cells (HEK-293T) [1]
AEA-DA
 Probe Info  		10 uM Human normal cells (HEK-293T) [1]
A-DA
 Probe Info  		10 uM Human normal cells (HEK-293T) [1]

Target(s) List of this Competitor

2 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Hydroxymethylglutaryl-CoA synthase, cytoplasmic (HMGCS1) LDTP05301 3.78  LDD0335 
Prostaglandin reductase 2 (PTGR2) LDTP08979 13.39  LDD0335 
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1 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 20.00  LDD0336 
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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 10 uM
Quantitative Method SILAC
Competitor Name KDT501
Competitor Concentration 25 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (HEK-293T)
Interaction Atlas ID  LDD0335  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 10 uM
Quantitative Method SILAC
Competitor Name KDT501
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (HEK-293T)
Interaction Atlas ID  LDD0336  Download The Altas
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 10 uM
Quantitative Method SILAC
Competitor Name KDT501
Competitor Concentration 25 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (HEK-293T)
Interaction Atlas ID  LDD0337  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 10 uM
Quantitative Method SILAC
Competitor Name KDT501
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (HEK-293T)
Interaction Atlas ID  LDD0338  Download The Altas
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 10 uM
Quantitative Method SILAC
Competitor Name KDT501
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (HEK-293T)
Interaction Atlas ID  LDD0343  Download The Altas

References

1 Mapping Protein Targets of Bioactive Small Molecules Using Lipid-Based Chemical Proteomics. ACS Chem Biol. 2017 Oct 20;12(10):2671-2681. doi: 10.1021/acschembio.7b00581. Epub 2017 Sep 20.
Mass spectrometry data entry: PXD007570