Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0187
Competitor Name
Compound 32
Synonyms
3-{2-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl}-2,4-imidazolidinedione
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 335.33
Lipid-water partition coefficient (xlogp) -0.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H18FN3O4
IUPAC Name
3-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
Canonical SMILES
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)CN3C(=O)CNC3=O
InChI
InChI=1S/C16H18FN3O4/c17-12-3-1-11(2-4-12)16(24)5-7-19(8-6-16)14(22)10-20-13(21)9-18-15(20)23/h1-4,24H,5-10H2,(H,18,23)
InChIKey
ZXOOYNVUSNYLPZ-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

36 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ADP-ribosylation factor 1 (ARF1) LDTP05192 17.69  LDD0507 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 18.57  LDD0507 
Alpha-galactosidase A (GLA) LDTP02141 12.86  LDD0507 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 7.17  LDD0507 
Beta-galactosidase (GLB1) LDTP02837 52.63  LDD0507 
Cathepsin D (CTSD) LDTP02198 25.64  LDD0507 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 28.43  LDD0507 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 44.44  LDD0507 
Delta(24)-sterol reductase (DHCR24) LDTP06375 11.36  LDD0507 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 21.28  LDD0507 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 9.80  LDD0507 
Epoxide hydrolase 1 (EPHX1) LDTP02175 48.78  LDD0507 
Exonuclease 1 (EXO1) LDTP13751 71.43  LDD0507 
Heme oxygenase 2 (HMOX2) LDTP03540 20.20  LDD0507 
Histidine--tRNA ligase, cytoplasmic (HARS1) LDTP02602 15.80  LDD0507 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 16.28  LDD0507 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 9.66  LDD0507 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 16.67  LDD0507 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 38.46  LDD0507 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 20.00  LDD0507 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 15.63  LDD0507 
Obg-like ATPase 1 (OLA1) LDTP12610 37.95  LDD0507 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 17.84  LDD0507 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 19.23  LDD0507 
Prostaglandin reductase 2 (PTGR2) LDTP08979 31.69  LDD0507 
Prostaglandin reductase 3 (PTGR3) LDTP15422 19.23  LDD0507 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 17.70  LDD0507 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 21.28  LDD0507 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 16.95  LDD0507 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 7.35  LDD0507 
Squalene synthase (FDFT1) LDTP03842 10.64  LDD0507 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 33.95  LDD0507 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 16.92  LDD0507 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 17.21  LDD0507 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 87.71  LDD0507 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 43.55  LDD0507 
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⏷ Show the Full List of 36 Enzyme
10 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Lysosome membrane protein 2 (SCARB2) LDTP06034 19.23  LDD0507 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 19.61  LDD0507 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 51.28  LDD0507 
Nucleoporin NDC1 (NDC1) LDTP11213 13.99  LDD0507 
Prosaposin (PSAP) LDTP02215 55.56  LDD0507 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 19.61  LDD0507 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 45.93  LDD0507 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 19.80  LDD0507 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 20.62  LDD0507 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 16.98  LDD0507 
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⏷ Show the Full List of 10 Transporter and channel
3 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Clustered mitochondria protein homolog (CLUH) LDTP14486 11.05  LDD0507 
Neudesin (NENF) LDTP13630 27.69  LDD0507 
Reticulon-4 (RTN4) LDTP12412 132.33  LDD0507 
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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 32
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  LDD0507  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.