Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0076
Competitor Name
kambe_cp71
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 410.526
Lipid-water partition coefficient (xlogp) 2.5009
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C21H30N8O
Canonical SMILES
CCCNC1(c2nnnn2Cc2ccccc2)CCN(C(=O)CCC2(C)N=N2)CC1
InChI
InChI=1S/C21H30N8O/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/h4-8,22H,3,9-16H2,1-2H3
InChIKey
QDKZCRGTQQUIEC-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_22
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]

Target(s) List of this Competitor

10 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Acylamino-acid-releasing enzyme (APEH) LDTP02693 2.30  LDD0132 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 4.29  LDD0132 
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 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 3.45  LDD0132 
Pyridoxal kinase (PDXK) LDTP00343 2.31  LDD0132 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 2.49  LDD0132 
------------------------------------------------------------------------------------
⏷ Show the Full List of 10 Enzyme
5 Other Competed by This Competitor
Target Name Target ID Binding 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 
------------------------------------------------------------------------------------

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_cp71
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.