Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0073
Competitor Name
Kambe_cp3
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 492.587
Lipid-water partition coefficient (xlogp) 4.2921
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C28H28N8O
Canonical SMILES
C#CCN(Cc1ccc(OCCC2(C)N=N2)cc1)C(c1cccnc1)c1nnnn1Cc1ccccc1
InChI
InChI=1S/C28H28N8O/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/h1,4-14,16,19,26H,15,17-18,20-21H2,2H3
InChIKey
CYJSHLKYQXVBGZ-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 6 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]
Kambe_22
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]
Kambe_24
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]
Kambe_26
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]
Kambe_31
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]
Kambe_55
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]

Target(s) List of this Competitor

17 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 7.76  LDD0128 
Cathepsin D (CTSD) LDTP02198 3.56  LDD0128 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 20.00  LDD0125 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 6.94  LDD0129 
L-lactate dehydrogenase A chain (LDHA) LDTP01766 3.29  LDD0127 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 12.54  LDD0127 
Oxidized purine nucleoside triphosphate hydrolase (NUDT1) LDTP03816 9.36  LDD0128 
Prostaglandin reductase 3 (PTGR3) LDTP15422 3.78  LDD0124 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 3.23  LDD0125 
Retinaldehyde dehydrogenase 3 (ALDH1A3) LDTP04134 4.96  LDD0128 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.01  LDD0128 
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 reductase 1, cytoplasmic (TXNRD1) LDTP06658 6.92  LDD0124 
Thioredoxin-dependent peroxide reductase, mitochondrial (PRDX3) LDTP03515 16.90  LDD0127 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 15.86  LDD0125 
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⏷ Show the Full List of 17 Enzyme
1 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Importin subunit alpha-1 (KPNA2) LDTP04501 5.27  LDD0128 
------------------------------------------------------------------------------------
10 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Breast cancer anti-estrogen resistance protein 3 (BCAR3) LDTP01316 12.35  LDD0127 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 5.44  LDD0128 
Neudesin (NENF) LDTP13630 3.23  LDD0129 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 4.93  LDD0126 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 3.14  LDD0128 
Protein CutA (CUTA) LDTP01075 10.57  LDD0124 
Tubulin beta-2B chain (TUBB2B) LDTP11277 3.04  LDD0129 
Tubulin beta-3 chain (TUBB3) LDTP05904 3.05  LDD0129 
Tubulin beta-4B chain (TUBB4B) LDTP05076 3.10  LDD0129 
Tubulin beta-6 chain (TUBB6) LDTP11233 3.09  LDD0129 
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⏷ Show the Full List of 10 Other

Full Information of The Labelling Profiles of This Competitor

Kambe_22
 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_cp3
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  LDD0125  Download The Altas

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_cp3
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  LDD0126  Download The Altas

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_cp3
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

Kambe_31
 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_cp3
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  LDD0128  Download The Altas

Kambe_55
 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_cp3
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  LDD0129  Download The Altas

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_cp3
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  LDD0124  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.