Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0079
Competitor Name
kambe_cp64
Structure
2D MOL
Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 531.665
Lipid-water partition coefficient (xlogp) 3.8411
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C28H37N9O2
Canonical SMILES
CCCN(C(=O)N1CCN(C)CC1)C(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1
InChI
InChI=1S/C28H37N9O2/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/h5-13,25H,4,14-21H2,1-3H3
InChIKey
GJDMJDOLYXDXMF-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_31
 Probe Info  		10 uM Human prostate carcinoma cells (PC-3) [1]

Target(s) List of this Competitor

14 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 2.03  LDD0135 
Cathepsin D (CTSD) LDTP02198 2.30  LDD0135 
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 2.30  LDD0135 
Presequence protease, mitochondrial (PITRM1) LDTP07003 5.29  LDD0135 
Prostaglandin reductase 1 (PTGR1) LDTP06227 3.18  LDD0135 
Prostaglandin reductase 2 (PTGR2) LDTP08979 3.02  LDD0135 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 2.67  LDD0135 
Sepiapterin reductase (SPR) LDTP03730 2.29  LDD0135 
Thioredoxin-dependent peroxide reductase, mitochondrial (PRDX3) LDTP03515 2.00  LDD0135 
------------------------------------------------------------------------------------
⏷ Show the Full List of 14 Enzyme
1 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Importin subunit alpha-1 (KPNA2) LDTP04501 2.00  LDD0135 
------------------------------------------------------------------------------------
4 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Keratin, type II cuticular Hb1 (KRT81) LDTP06141 2.38  LDD0135 
Keratin, type II cuticular Hb6 (KRT86) LDTP00868 2.38  LDD0135 
Neudesin (NENF) LDTP13630 2.29  LDD0135 
Protein CutA (CUTA) LDTP01075 3.29  LDD0135 
------------------------------------------------------------------------------------

Full Information of The Labelling Profiles of This Competitor

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_cp64
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.