Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0184
Competitor Name
Compound 20
Synonyms
1-{2-[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDIN-2-ONE
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.4
Lipid-water partition coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H26N2O3
IUPAC Name
1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
Canonical SMILES
COC1=CC=CC=C1C2CCN(CC2)C(=O)CN3CCCCC3=O
InChI
InChI=1S/C19H26N2O3/c1-24-17-7-3-2-6-16(17)15-9-12-20(13-10-15)19(23)14-21-11-5-4-8-18(21)22/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKey
IFDIOSLWCKMIQF-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
JN0003
 Probe Info  		20 uM Human normal cells (HEK-293T) [1]

Target(s) List of this Competitor

42 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 18.35  LDD0503 
ADP-ribosylation factor 1 (ARF1) LDTP05192 14.30  LDD0503 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.85  LDD0503 
Alpha-galactosidase A (GLA) LDTP02141 12.86  LDD0503 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 9.97  LDD0503 
Beta-galactosidase (GLB1) LDTP02837 14.39  LDD0503 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 12.05  LDD0503 
Cathepsin D (CTSD) LDTP02198 17.24  LDD0503 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 9.27  LDD0503 
Cytochrome b5 type B (CYB5B) LDTP00697 13.04  LDD0503 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 7.66  LDD0503 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 13.25  LDD0503 
Delta(24)-sterol reductase (DHCR24) LDTP06375 16.95  LDD0503 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 15.38  LDD0503 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 15.75  LDD0503 
Epoxide hydrolase 1 (EPHX1) LDTP02175 6.31  LDD0503 
Exonuclease 1 (EXO1) LDTP13751 12.20  LDD0503 
Gamma-interferon-inducible lysosomal thiol reductase (IFI30) LDTP02651 14.71  LDD0503 
Heme oxygenase 2 (HMOX2) LDTP03540 15.15  LDD0503 
Histidine--tRNA ligase, cytoplasmic (HARS1) LDTP02602 14.56  LDD0503 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 9.13  LDD0503 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 13.47  LDD0503 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 11.98  LDD0503 
Lanosterol synthase (LSS) LDTP04183 9.30  LDD0503 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 15.38  LDD0503 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 11.43  LDD0503 
Lysophosphatidylserine lipase ABHD12 (ABHD12) LDTP08799 17.24  LDD0503 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 16.39  LDD0503 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 8.51  LDD0503 
Obg-like ATPase 1 (OLA1) LDTP12610 11.79  LDD0503 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 14.81  LDD0503 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 14.29  LDD0503 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 16.13  LDD0503 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 10.53  LDD0503 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 5.92  LDD0503 
Serine palmitoyltransferase 1 (SPTLC1) LDTP00597 11.45  LDD0503 
Squalene synthase (FDFT1) LDTP03842 14.39  LDD0503 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 9.70  LDD0503 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 7.93  LDD0503 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 12.14  LDD0503 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 11.66  LDD0503 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 10.95  LDD0503 
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⏷ Show the Full List of 42 Enzyme
12 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Lysosome membrane protein 2 (SCARB2) LDTP06034 15.04  LDD0503 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 13.61  LDD0503 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 15.27  LDD0503 
Nucleoporin NDC1 (NDC1) LDTP11213 13.33  LDD0503 
Prosaposin (PSAP) LDTP02215 15.75  LDD0503 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 11.40  LDD0503 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 14.60  LDD0503 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 13.91  LDD0503 
Syntenin-1 (SDCBP) LDTP00310 12.82  LDD0503 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 16.13  LDD0503 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 16.13  LDD0503 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 13.92  LDD0503 
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⏷ Show the Full List of 12 Transporter and channel
5 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 12.20  LDD0503 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 11.44  LDD0503 
Neudesin (NENF) LDTP13630 6.83  LDD0503 
Protein unc-119 homolog B (UNC119B) LDTP00105 10.19  LDD0503 
Reticulon-4 (RTN4) LDTP12412 6.59  LDD0503 
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Full Information of The Labelling Profiles of This Competitor

Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 20 uM
Quantitative Method SILAC
Competitor Name Compound 20
Competitor Concentration 160 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (HEK-293T)
Interaction Atlas ID  LDD0503  Download The Altas

References

1 Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.