Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0077
Competitor Name
kambe_cp60
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 413.526
Lipid-water partition coefficient (xlogp) 3.772
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C21H31N7O2
Canonical SMILES
CCCCn1nnnc1C(c1ccc(OC)cc1)N(CCC)C(=O)CCC1(C)N=N1
InChI
InChI=1S/C21H31N7O2/c1-5-7-15-28-20(22-25-26-28)19(16-8-10-17(30-4)11-9-16)27(14-6-2)18(29)12-13-21(3)23-24-21/h8-11,19H,5-7,12-15H2,1-4H3
InChIKey
CCMRBPZOXORYRR-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_24
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]

Target(s) List of this Competitor

3 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 2.98  LDD0133 
Prostaglandin reductase 1 (PTGR1) LDTP06227 2.94  LDD0133 
Retinaldehyde dehydrogenase 3 (ALDH1A3) LDTP04134 2.51  LDD0133 
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1 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 4.06  LDD0133 
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Full Information of The Labelling Profiles of This Competitor

Kambe_24
 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_cp60
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  LDD0133  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.