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

22 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acylamino-acid-releasing enzyme (APEH) LDTP02693 2.30  LDD0132 
Acylamino-acid-releasing enzyme (APEH) LDTP02693 2.30  LDD0132 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 20.00  LDD0125 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 20.00  LDD0125 
Flavin reductase (NADPH) (BLVRB) LDTP03511 3.14  LDD0132 
Flavin reductase (NADPH) (BLVRB) LDTP03511 3.14  LDD0132 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.84  LDD0132 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.84  LDD0132 
NmrA-like family domain-containing protein 1 (NMRAL1) LDTP12190 2.28  LDD0132 
NmrA-like family domain-containing protein 1 (NMRAL1) LDTP12190 2.28  LDD0132 
Prostaglandin reductase 1 (PTGR1) LDTP06227 5.20  LDD0132 
Prostaglandin reductase 1 (PTGR1) LDTP06227 5.20  LDD0132 
Prostaglandin reductase 2 (PTGR2) LDTP08979 13.27  LDD0132 
Prostaglandin reductase 2 (PTGR2) LDTP08979 13.27  LDD0132 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 3.23  LDD0125 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 3.23  LDD0125 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 3.45  LDD0132 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 3.45  LDD0132 
Pyridoxal kinase (PDXK) LDTP00343 2.31  LDD0132 
Pyridoxal kinase (PDXK) LDTP00343 2.31  LDD0132 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 15.86  LDD0125 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 15.86  LDD0125 
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⏷ Show the Full List of 22 Enzyme
10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Annexin A7 (ANXA7) LDTP03030 3.46  LDD0132 
Annexin A7 (ANXA7) LDTP03030 3.46  LDD0132 
F-actin-capping protein subunit alpha-1 (CAPZA1) LDTP04544 2.16  LDD0132 
F-actin-capping protein subunit alpha-1 (CAPZA1) LDTP04544 2.16  LDD0132 
Keratin, type II cytoskeletal 8 (KRT8) LDTP02125 2.25  LDD0132 
Keratin, type II cytoskeletal 8 (KRT8) LDTP02125 2.25  LDD0132 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 2.90  LDD0132 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 2.90  LDD0132 
Protein CutA (CUTA) LDTP01075 2.08  LDD0132 
Protein CutA (CUTA) LDTP01075 2.08  LDD0132 
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⏷ Show the Full List of 10 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]
 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.