Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0185
Competitor Name
Compound 17
Synonyms
1144491-07-5; 4-(4-chlorophenyl)-1-(1H-indol-1-ylacetyl)-4-piperidinol; SCHEMBL21788677; EiM08-06666; STK659618; AKOS005589957; CCG-286979; 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(1H-indol-1-yl)ethanone; 1-[4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDIN-1-YL]-2-(1H-INDOL-1-YL)ETHAN-1-ONE
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 368.9
Lipid-water partition coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H21ClN2O2
IUPAC Name
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-indol-1-ylethanone
Canonical SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CN3C=CC4=CC=CC=C43
InChI
InChI=1S/C21H21ClN2O2/c22-18-7-5-17(6-8-18)21(26)10-13-23(14-11-21)20(25)15-24-12-9-16-3-1-2-4-19(16)24/h1-9,12,26H,10-11,13-15H2
InChIKey
WLCWUUZFTAFLNL-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  		200 uM Human normal cells (HEK-293T) [1]

Target(s) List of this Competitor

67 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 8 (PSMC5) LDTP04963 7.04  LDD0512 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 4.65  LDD0512 
ADP-dependent glucokinase (ADPGK) LDTP11127 9.13  LDD0512 
ADP-ribosylation factor 1 (ARF1) LDTP05192 9.03  LDD0504 
ADP-ribosylation factor 4 (ARF4) LDTP02942 5.60  LDD0512 
ADP-ribosylation factor 5 (ARF5) LDTP05193 5.48  LDD0512 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.88  LDD0504 
Alpha-galactosidase A (GLA) LDTP02141 8.97  LDD0504 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 6.27  LDD0512 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 3.85  LDD0512 
Beta-galactosidase (GLB1) LDTP02837 5.39  LDD0504 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 5.76  LDD0512 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 4.37  LDD0512 
Calcyclin-binding protein (CACYBP) LDTP12163 3.11  LDD0512 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 34.48  LDD0504 
Cathepsin B (CTSB) LDTP02223 3.53  LDD0512 
Cathepsin D (CTSD) LDTP02198 8.89  LDD0504 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 3.71  LDD0512 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 24.06  LDD0504 
Cytochrome b5 type B (CYB5B) LDTP00697 20.63  LDD0504 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 6.61  LDD0504 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 3.93  LDD0512 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 9.26  LDD0504 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.45  LDD0504 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 15.75  LDD0504 
DNA replication licensing factor MCM7 (MCM7) LDTP03682 3.85  LDD0512 
Epoxide hydrolase 1 (EPHX1) LDTP02175 12.12  LDD0504 
Exonuclease 1 (EXO1) LDTP13751 34.48  LDD0504 
Gamma-glutamyl hydrolase (GGH) LDTP09886 6.49  LDD0512 
Glucose-6-phosphate 1-dehydrogenase (G6PD) LDTP02569 3.75  LDD0512 
Heme oxygenase 2 (HMOX2) LDTP03540 22.73  LDD0504 
Histidine--tRNA ligase, cytoplasmic (HARS1) LDTP02602 12.93  LDD0504 
Insulin-degrading enzyme (IDE) LDTP02743 5.17  LDD0512 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 10.06  LDD0504 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 11.19  LDD0504 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 11.43  LDD0504 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 7.49  LDD0504 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 4.58  LDD0504 
Lysophosphatidylserine lipase ABHD12 (ABHD12) LDTP08799 5.93  LDD0512 
Lysosomal alpha-glucosidase (GAA) LDTP02486 6.31  LDD0512 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.87  LDD0504 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 15.72  LDD0512 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.97  LDD0504 
Obg-like ATPase 1 (OLA1) LDTP12610 5.05  LDD0504 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 13.09  LDD0504 
Phosphoenolpyruvate carboxykinase [GTP], mitochondrial (PCK2) LDTP06638 5.32  LDD0512 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 3.32  LDD0504 
Prolyl endopeptidase-like (PREPL) LDTP06849 6.28  LDD0512 
Prostaglandin reductase 2 (PTGR2) LDTP08979 6.41  LDD0504 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 9.52  LDD0504 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 4.16  LDD0512 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 6.23  LDD0512 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 4.26  LDD0512 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 10.93  LDD0504 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 19.23  LDD0504 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 5.85  LDD0512 
RuvB-like 2 (RUVBL2) LDTP13787 4.79  LDD0512 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 5.69  LDD0504 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 8.73  LDD0512 
Squalene monooxygenase (SQLE) LDTP06142 10.31  LDD0512 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 24.25  LDD0504 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 18.71  LDD0504 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 8.88  LDD0504 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 6.58  LDD0512 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 7.87  LDD0504 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 8.06  LDD0504 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 10.31  LDD0512 
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⏷ Show the Full List of 67 Enzyme
26 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Activator of 90 kDa heat shock protein ATPase homolog 1 (AHSA1) LDTP01601 3.21  LDD0512 
Calnexin (CANX) LDTP03405 7.22  LDD0512 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 12.12  LDD0512 
Flotillin-1 (FLOT1) LDTP01366 6.31  LDD0512 
Importin subunit alpha-1 (KPNA2) LDTP04501 5.27  LDD0512 
Importin-7 (IPO7) LDTP01574 3.22  LDD0512 
Lysosome membrane protein 2 (SCARB2) LDTP06034 6.62  LDD0504 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 9.95  LDD0512 
MICOS complex subunit MIC26 (APOO) LDTP11250 7.17  LDD0512 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 3.02  LDD0504 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 6.13  LDD0512 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 11.49  LDD0504 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 5.99  LDD0512 
Nucleoporin NDC1 (NDC1) LDTP11213 3.64  LDD0504 
Prosaposin (PSAP) LDTP02215 5.65  LDD0504 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.30  LDD0512 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 9.19  LDD0504 
Signal recognition particle subunit SRP68 (SRP68) LDTP13262 5.41  LDD0512 
Syntenin-1 (SDCBP) LDTP00310 6.62  LDD0512 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 4.09  LDD0512 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 6.56  LDD0512 
Transportin-1 (TNPO1) LDTP09949 4.14  LDD0512 
Transportin-3 (TNPO3) LDTP14133 6.06  LDD0512 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 20.83  LDD0504 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 16.67  LDD0504 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 13.16  LDD0504 
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⏷ Show the Full List of 26 Transporter and channel
29 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome non-ATPase regulatory subunit 11 (PSMD11) LDTP00223 3.21  LDD0512 
AP-3 complex subunit mu-1 (AP3M1) LDTP13908 8.89  LDD0512 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.13  LDD0504 
Crk-like protein (CRKL) LDTP04092 8.00  LDD0512 
Dynactin subunit 2 (DCTN2) LDTP05922 5.28  LDD0512 
Eukaryotic translation initiation factor 3 subunit E (EIF3E) LDTP04853 4.39  LDD0512 
Eukaryotic translation initiation factor 3 subunit L (EIF3L) LDTP13813 4.39  LDD0512 
Exportin-6 (XPO6) LDTP10749 6.04  LDD0512 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 3.55  LDD0512 
Interferon-inducible double-stranded RNA-dependent protein kinase activator A (PRKRA) LDTP01259 4.39  LDD0512 
Large proline-rich protein BAG6 (BAG6) LDTP04094 8.13  LDD0512 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 5.36  LDD0512 
Negative elongation factor C/D (NELFCD) LDTP08594 5.09  LDD0512 
Neudesin (NENF) LDTP13630 11.81  LDD0504 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 4.07  LDD0512 
Nucleobindin-1 (NUCB1) LDTP05375 3.98  LDD0512 
Nucleobindin-2 (NUCB2) LDTP05160 3.75  LDD0512 
Nucleosome assembly protein 1-like 1 (NAP1L1) LDTP04684 3.72  LDD0512 
Optic atrophy 3 protein (OPA3) LDTP16006 9.30  LDD0512 
Proliferation marker protein Ki-67 (MKI67) LDTP04078 11.83  LDD0512 
Proteasome activator complex subunit 3 (PSME3) LDTP04917 3.21  LDD0512 
Protein LYRIC (MTDH) LDTP08224 9.52  LDD0512 
Protein SET (SET) LDTP05277 3.68  LDD0512 
Reticulon-3 (RTN3) LDTP01522 11.26  LDD0512 
Reticulon-4 (RTN4) LDTP12412 9.76  LDD0512 
Structural maintenance of chromosomes protein 1A (SMC1A) LDTP06181 4.05  LDD0512 
Syntaxin-18 (STX18) LDTP13086 5.80  LDD0512 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 3.11  LDD0512 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 5.81  LDD0512 
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⏷ Show the Full List of 29 Other

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 17
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  LDD0504  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 200 uM
Quantitative Method SILAC
Competitor Name Compound 17
Competitor Concentration 200 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  LDD0512  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.