Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0074
Competitor Name
Kambe_cp66
Structure
2D MOL
Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 496.619
Lipid-water partition coefficient (xlogp) 5.0689
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C28H32N8O
Canonical SMILES
CCCN(Cc1ccc(OCCC2(C)N=N2)cc1)C(c1cccnc1)c1nnnn1Cc1ccccc1
InChI
InChI=1S/C28H32N8O/c1-3-17-35(20-23-11-13-25(14-12-23)37-18-15-28(2)31-32-28)26(24-10-7-16-29-19-24)27-30-33-34-36(27)21-22-8-5-4-6-9-22/h4-14,16,19,26H,3,15,17-18,20-21H2,1-2H3
InChIKey
ZKNQBPOUZRFQFC-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_3
 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
Aldo-keto reductase family 1 member C3 (AKR1C3) LDTP03976 20.00  LDD0130 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 3.18  LDD0130 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 2.18  LDD0130 
Prostaglandin reductase 1 (PTGR1) LDTP06227 2.68  LDD0130 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 2.02  LDD0130 
Retinaldehyde dehydrogenase 3 (ALDH1A3) LDTP04134 2.29  LDD0130 
Sepiapterin reductase (SPR) LDTP03730 3.05  LDD0130 
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⏷ Show the Full List of 7 Enzyme
3 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Ubiquilin-4 (UBQLN4) LDTP12533 2.00  LDD0130 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 3.56  LDD0130 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 2.48  LDD0130 
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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 20.00  LDD0130 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 2.03  LDD0130 
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Full Information of The Labelling Profiles of This Competitor

Kambe_3
 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_cp66
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  LDD0130  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.