Details of the Probe

General Information of Probe

Probe ID
LDPC0116
Probe Name
Kambe_26
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 321.388
Lipid-water partition coefficient (xlogp) 1.8756
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C17H19N7
Canonical SMILES
C#CCNC1(c2nnnn2Cc2ccccc2)CCC2(CC1)N=N2
InChI
InChI=1S/C17H19N7/c1-2-12-18-16(8-10-17(11-9-16)20-21-17)15-19-22-23-24(15)13-14-6-4-3-5-7-14/h1,3-7,18H,8-13H2
InChIKey
GKFXJTYWOWTYFX-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

9 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Calcyclin-binding protein (CACYBP) LDTP12163 2.00  LDD0134 
L-lactate dehydrogenase A chain (LDHA) LDTP01766 3.29  LDD0127 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 12.54  LDD0127 
Prostaglandin reductase 2 (PTGR2) LDTP08979 4.88  LDD0134 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 8.04  LDD0127 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 6.24  LDD0127 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 20.00  LDD0127 
Thioredoxin-dependent peroxide reductase, mitochondrial (PRDX3) LDTP03515 16.90  LDD0127 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 2.72  LDD0134 
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⏷ Show the Full List of 9 Enzyme
1 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 2.06  LDD0134 
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3 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Breast cancer anti-estrogen resistance protein 3 (BCAR3) LDTP01316 12.35  LDD0127 
Neudesin (NENF) LDTP13630 2.05  LDD0134 
Protein TFG (TFG) LDTP09851 2.01  LDD0134 
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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]
 LDCM0078  kambe_cp70 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
 LDD0127 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
10 uM
Quantitative Method
SILAC
Competitor Name
kambe_cp70
 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
 LDD0134 
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.