Details of the Probe

General Information of Probe

Probe ID
LDPC0117
Probe Name
Kambe_31
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 527.633
Lipid-water partition coefficient (xlogp) 3.0643
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C28H33N9O2
Canonical SMILES
C#CCN(C(=O)N1CCN(C)CC1)C(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1
InChI
InChI=1S/C28H33N9O2/c1-4-15-36(27(38)35-18-16-34(3)17-19-35)25(26-29-32-33-37(26)21-22-8-6-5-7-9-22)23-10-12-24(13-11-23)39-20-14-28(2)30-31-28/h1,5-13,25H,14-21H2,2-3H3
InChIKey
NYEPISJMSFFIAC-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

16 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 7.76  LDD0128 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 2.03  LDD0135 
Cathepsin D (CTSD) LDTP02198 3.56  LDD0128 
Cytidine deaminase (CDA) LDTP03642 2.09  LDD0135 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 3.27  LDD0135 
Deoxycytidine kinase (DCK) LDTP03400 2.23  LDD0135 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 2.60  LDD0135 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 2.15  LDD0135 
Oxidized purine nucleoside triphosphate hydrolase (NUDT1) LDTP03816 9.36  LDD0128 
Presequence protease, mitochondrial (PITRM1) LDTP07003 5.29  LDD0135 
Prostaglandin reductase 1 (PTGR1) LDTP06227 3.18  LDD0135 
Prostaglandin reductase 2 (PTGR2) LDTP08979 3.02  LDD0135 
Retinaldehyde dehydrogenase 3 (ALDH1A3) LDTP04134 4.96  LDD0128 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.01  LDD0128 
Sepiapterin reductase (SPR) LDTP03730 2.29  LDD0135 
Thioredoxin-dependent peroxide reductase, mitochondrial (PRDX3) LDTP03515 2.00  LDD0135 
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⏷ Show the Full List of 16 Enzyme
1 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Importin subunit alpha-1 (KPNA2) LDTP04501 5.27  LDD0128 
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6 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Keratin, type II cuticular Hb1 (KRT81) LDTP06141 2.38  LDD0135 
Keratin, type II cuticular Hb6 (KRT86) LDTP00868 2.38  LDD0135 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 5.44  LDD0128 
Neudesin (NENF) LDTP13630 2.29  LDD0135 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 3.14  LDD0128 
Protein CutA (CUTA) LDTP01075 17.06  LDD0128 
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⏷ Show the Full List of 6 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0073  Kambe_cp3 10 uM Human prostate carcinoma cells (PC-3) [1]
 LDCM0079  kambe_cp64 20 uM Human prostate carcinoma cells (PC-3) [1]

Full Information of The Labelling Profiles of This Probe

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 Info 
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
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
10 uM
Quantitative Method
SILAC
Competitor Name
kambe_cp64
 Competitor Info 
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
 LDD0135 
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.