Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0075
Competitor Name
kambe_cp62
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 405.506
Lipid-water partition coefficient (xlogp) 3.7613
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C22H27N7O
Canonical SMILES
CCCNC(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1
InChI
InChI=1S/C22H27N7O/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/h4-12,20,23H,3,13-16H2,1-2H3
InChIKey
IPRNOIUHXFUKIA-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
Kambe_8
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]

Target(s) List of this Competitor

7 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 2.15  LDD0131 
Oxidized purine nucleoside triphosphate hydrolase (NUDT1) LDTP03816 2.13  LDD0131 
Prostaglandin reductase 1 (PTGR1) LDTP06227 3.77  LDD0131 
Prostaglandin reductase 2 (PTGR2) LDTP08979 3.84  LDD0131 
Prostaglandin reductase 3 (PTGR3) LDTP15422 2.80  LDD0131 
Retinaldehyde dehydrogenase 3 (ALDH1A3) LDTP04134 9.04  LDD0131 
Sepiapterin reductase (SPR) LDTP03730 2.85  LDD0131 
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⏷ Show the Full List of 7 Enzyme
1 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 3.46  LDD0131 
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2 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Large proline-rich protein BAG6 (BAG6) LDTP04094 2.38  LDD0131 
Protein CutA (CUTA) LDTP01075 3.54  LDD0131 
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Full Information of The Labelling Profiles of This Competitor

Kambe_8
 Probe Info 
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_cp62
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.