Details of the Probe

General Information of Probe

Probe ID
LDPC0113
Probe Name
Kambe_8
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 401.474
Lipid-water partition coefficient (xlogp) 2.9845
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C22H23N7O
Canonical SMILES
C#CCNC(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1
InChI
InChI=1S/C22H23N7O/c1-3-14-23-20(21-24-27-28-29(21)16-17-7-5-4-6-8-17)18-9-11-19(12-10-18)30-15-13-22(2)25-26-22/h1,4-12,20,23H,13-16H2,2H3
InChIKey
UJOIGXXRXYGDFM-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

16 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 2.15  LDD0131 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 2.15  LDD0131 
Oxidized purine nucleoside triphosphate hydrolase (NUDT1) LDTP03816 2.13  LDD0131 
Oxidized purine nucleoside triphosphate hydrolase (NUDT1) LDTP03816 2.13  LDD0131 
Prostaglandin reductase 1 (PTGR1) LDTP06227 3.77  LDD0131 
Prostaglandin reductase 1 (PTGR1) LDTP06227 3.77  LDD0131 
Prostaglandin reductase 2 (PTGR2) LDTP08979 3.84  LDD0131 
Prostaglandin reductase 2 (PTGR2) LDTP08979 3.84  LDD0131 
Prostaglandin reductase 3 (PTGR3) LDTP15422 3.78  LDD0124 
Prostaglandin reductase 3 (PTGR3) LDTP15422 3.78  LDD0124 
Retinaldehyde dehydrogenase 3 (ALDH1A3) LDTP04134 9.04  LDD0131 
Retinaldehyde dehydrogenase 3 (ALDH1A3) LDTP04134 9.04  LDD0131 
Sepiapterin reductase (SPR) LDTP03730 2.85  LDD0131 
Sepiapterin reductase (SPR) LDTP03730 2.85  LDD0131 
Thioredoxin reductase 1, cytoplasmic (TXNRD1) LDTP06658 6.92  LDD0124 
Thioredoxin reductase 1, cytoplasmic (TXNRD1) LDTP06658 6.92  LDD0124 
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⏷ Show the Full List of 16 Enzyme
2 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 3.46  LDD0131 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 3.46  LDD0131 
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4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Large proline-rich protein BAG6 (BAG6) LDTP04094 2.38  LDD0131 
Large proline-rich protein BAG6 (BAG6) LDTP04094 2.38  LDD0131 
Protein CutA (CUTA) LDTP01075 10.57  LDD0124 
Protein CutA (CUTA) LDTP01075 10.57  LDD0124 
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Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0073  Kambe_cp3 10 uM Human prostate carcinoma cells (PC-3) [1]
 LDCM0075  kambe_cp62 20 uM Human prostate carcinoma cells (PC-3) [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
10 uM
Quantitative Method
SILAC
Competitor Name
Kambe_cp3
 Competitor Info 
Competitor Concentration
10 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Prostate
Disease Model
Prostate carcinoma [ICD-11:2C82]
Model Name
Human prostate carcinoma cells (PC-3)
Interaction Atlas ID
 LDD0124 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
10 uM
Quantitative Method
SILAC
Competitor Name
kambe_cp62
 Competitor Info 
Competitor Concentration
20 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Prostate
Disease Model
Prostate carcinoma [ICD-11:2C82]
Model Name
Human prostate carcinoma cells (PC-3)
Interaction Atlas ID
 LDD0131 
Download The Altas

References

1 Mapping the protein interaction landscape for fully functionalized small-molecule probes in human cells. J Am Chem Soc. 2014 Jul 30;136(30):10777-82. doi: 10.1021/ja505517t. Epub 2014 Jul 21.