Details of the Probe

General Information of Probe

Probe ID
LDPC0114
Probe Name
Kambe_22
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 406.494
Lipid-water partition coefficient (xlogp) 1.7241
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C21H26N8O
Canonical SMILES
C#CCNC1(c2nnnn2Cc2ccccc2)CCN(C(=O)CCC2(C)N=N2)CC1
InChI
InChI=1S/C21H26N8O/c1-3-13-22-21(19-23-26-27-29(19)16-17-7-5-4-6-8-17)11-14-28(15-12-21)18(30)9-10-20(2)24-25-20/h1,4-8,22H,9-16H2,2H3
InChIKey
QKCMUBMWZQUFGW-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

11 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acylamino-acid-releasing enzyme (APEH) LDTP02693 2.30  LDD0132 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 20.00  LDD0125 
Flavin reductase (NADPH) (BLVRB) LDTP03511 3.14  LDD0132 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.84  LDD0132 
NmrA-like family domain-containing protein 1 (NMRAL1) LDTP12190 2.28  LDD0132 
Prostaglandin reductase 1 (PTGR1) LDTP06227 5.20  LDD0132 
Prostaglandin reductase 2 (PTGR2) LDTP08979 13.27  LDD0132 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 3.23  LDD0125 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 3.45  LDD0132 
Pyridoxal kinase (PDXK) LDTP00343 2.31  LDD0132 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 15.86  LDD0125 
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⏷ Show the Full List of 11 Enzyme
5 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Annexin A7 (ANXA7) LDTP03030 3.46  LDD0132 
F-actin-capping protein subunit alpha-1 (CAPZA1) LDTP04544 2.16  LDD0132 
Keratin, type II cytoskeletal 8 (KRT8) LDTP02125 2.25  LDD0132 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 2.90  LDD0132 
Protein CutA (CUTA) LDTP01075 2.08  LDD0132 
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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]
 LDCM0076  kambe_cp71 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
 LDD0125 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
10 uM
Quantitative Method
SILAC
Competitor Name
kambe_cp71
 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
 LDD0132 
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.