Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0182
Competitor Name
Compound 18
Synonyms
SCHEMBL21788680; AKOS008085247; Z223593798
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 322.4
Lipid-water partition coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H18N2O3
IUPAC Name
N-(2-acetylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
Canonical SMILES
CC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C3=CC=CC=C23)C
InChI
InChI=1S/C19H18N2O3/c1-12(22)13-7-3-5-9-16(13)20-19(24)15-11-18(23)21(2)17-10-6-4-8-14(15)17/h3-10,15H,11H2,1-2H3,(H,20,24)
InChIKey
AYPIXOSXIPDRGM-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
FFF probe6
 Probe Info  		20 uM Human normal cells (HEK-293T) [1]

Target(s) List of this Competitor

31 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Adenosine kinase (ADK) LDTP04689 9.22  LDD0501 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.13  LDD0501 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 9.62  LDD0501 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 11.49  LDD0501 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 6.33  LDD0501 
Cathepsin D (CTSD) LDTP02198 11.90  LDD0501 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 3.49  LDD0501 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 6.42  LDD0501 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.35  LDD0501 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 6.09  LDD0501 
DNA replication licensing factor MCM4 (MCM4) LDTP03680 4.44  LDD0501 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 9.39  LDD0501 
E3 ubiquitin-protein ligase TRIM33 (TRIM33) LDTP13702 10.15  LDD0501 
Exonuclease 1 (EXO1) LDTP13751 12.99  LDD0501 
Heme oxygenase 2 (HMOX2) LDTP03540 12.05  LDD0501 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 5.34  LDD0501 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.78  LDD0501 
Isoleucine--tRNA ligase, mitochondrial (IARS2) LDTP12588 3.00  LDD0501 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 4.54  LDD0501 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 10.15  LDD0501 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.00  LDD0501 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 4.22  LDD0501 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 7.94  LDD0501 
Presequence protease, mitochondrial (PITRM1) LDTP07003 10.64  LDD0501 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 4.42  LDD0501 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 9.52  LDD0501 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 7.27  LDD0501 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 7.52  LDD0501 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 7.74  LDD0501 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 4.71  LDD0501 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 5.26  LDD0501 
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⏷ Show the Full List of 31 Enzyme
4 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.39  LDD0501 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 9.76  LDD0501 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 11.11  LDD0501 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 3.78  LDD0501 
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12 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Bromodomain-containing protein 2 (BRD2) LDTP03322 6.68  LDD0501 
Clustered mitochondria protein homolog (CLUH) LDTP14486 18.02  LDD0501 
Dynactin subunit 2 (DCTN2) LDTP05922 5.99  LDD0501 
Junction plakoglobin (JUP) LDTP02756 3.99  LDD0501 
Neudesin (NENF) LDTP13630 6.99  LDD0501 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 3.96  LDD0501 
Tubulin beta chain (TUBB) LDTP02205 7.17  LDD0501 
Tubulin beta-2B chain (TUBB2B) LDTP11277 7.06  LDD0501 
Tubulin beta-3 chain (TUBB3) LDTP05904 7.91  LDD0501 
Tubulin beta-4B chain (TUBB4B) LDTP05076 7.05  LDD0501 
Tubulin beta-6 chain (TUBB6) LDTP11233 6.87  LDD0501 
Tubulin beta-8 chain (TUBB8) LDTP06809 9.95  LDD0501 
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⏷ Show the Full List of 12 Other

Full Information of The Labelling Profiles of This Competitor

FFF probe6
 Probe Info 
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 18
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  LDD0501  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.