Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0078
Competitor Name
kambe_cp70
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 323.404
Lipid-water partition coefficient (xlogp) 2.4284
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C17H21N7
Canonical SMILES
C=CCNC1(c2nnnn2Cc2ccccc2)CCC2(CC1)N=N2
InChI
InChI=1S/C17H21N7/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/h2-7,18H,1,8-13H2
InChIKey
RQIFUPWDWFSODM-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_26
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]

Target(s) List of this Competitor

4 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Calcyclin-binding protein (CACYBP) LDTP12163 2.00  LDD0134 
Prostaglandin reductase 2 (PTGR2) LDTP08979 4.88  LDD0134 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 2.08  LDD0134 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 2.72  LDD0134 
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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 2.06  LDD0134 
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3 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Breast cancer anti-estrogen resistance protein 3 (BCAR3) LDTP01316 20.00  LDD0134 
Neudesin (NENF) LDTP13630 2.05  LDD0134 
Protein TFG (TFG) LDTP09851 2.01  LDD0134 
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Full Information of The Labelling Profiles of This Competitor

Kambe_26
 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_cp70
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.