Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0190
Competitor Name
Compound 34
Synonyms
AKOS033159455; Z119864292
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 387.8
Lipid-water partition coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H18ClNO5
IUPAC Name
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
Canonical SMILES
CN(CCOC1=CC=CC=C1Cl)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3
InChI
InChI=1S/C20H18ClNO5/c1-22(10-11-25-17-5-3-2-4-16(17)21)19(23)13-26-15-8-6-14-7-9-20(24)27-18(14)12-15/h2-9,12H,10-11,13H2,1H3
InChIKey
LOTRZXIFUSPCHZ-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 probe3
 Probe Info  		200 uM Human normal cells (HEK-293T) [1]

Target(s) List of this Competitor

84 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
(E3-independent) E2 ubiquitin-conjugating enzyme (UBE2O) LDTP11601 3.11  LDD0510 
26S proteasome regulatory subunit 8 (PSMC5) LDTP04963 4.07  LDD0510 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 18.52  LDD0497 
Adenosine 5'-monophosphoramidase HINT1 (HINT1) LDTP04306 3.25  LDD0510 
Adenosine kinase (ADK) LDTP04689 14.93  LDD0497 
ADP-dependent glucokinase (ADPGK) LDTP11127 10.93  LDD0510 
Alanine--tRNA ligase, mitochondrial (AARS2) LDTP07015 3.36  LDD0510 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 9.30  LDD0510 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 19.42  LDD0497 
ATP synthase subunit beta, mitochondrial (ATP5F1B) LDTP02150 5.74  LDD0497 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 12.35  LDD0497 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 6.10  LDD0510 
Beta-galactosidase (GLB1) LDTP02837 32.02  LDD0497 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 8.22  LDD0510 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 37.04  LDD0497 
Calcyclin-binding protein (CACYBP) LDTP12163 3.02  LDD0510 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 43.48  LDD0497 
Cathepsin D (CTSD) LDTP02198 18.52  LDD0497 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 8.44  LDD0510 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 6.72  LDD0510 
Cyclin-dependent kinase 9 (CDK9) LDTP04384 8.60  LDD0510 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 15.02  LDD0497 
Cytochrome b5 type B (CYB5B) LDTP00697 18.35  LDD0497 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 13.41  LDD0497 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 16.13  LDD0497 
Delta(24)-sterol reductase (DHCR24) LDTP06375 16.95  LDD0497 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 16.67  LDD0497 
DNA replication licensing factor MCM4 (MCM4) LDTP03680 5.89  LDD0497 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 14.39  LDD0497 
DNA replication licensing factor MCM7 (MCM7) LDTP03682 7.75  LDD0510 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B (STT3B) LDTP09388 10.78  LDD0510 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 16.95  LDD0497 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.49  LDD0497 
Eukaryotic initiation factor 4A-I (EIF4A1) LDTP04878 3.54  LDD0510 
Exonuclease 1 (EXO1) LDTP13751 17.09  LDD0497 
Fumarylacetoacetase (FAH) LDTP02868 3.28  LDD0510 
Gamma-glutamyl hydrolase (GGH) LDTP09886 3.81  LDD0510 
GTP-binding protein Rheb (RHEB) LDTP06371 10.47  LDD0510 
Heme oxygenase 2 (HMOX2) LDTP03540 8.37  LDD0497 
Histidine--tRNA ligase, cytoplasmic (HARS1) LDTP02602 11.54  LDD0497 
Insulin-degrading enzyme (IDE) LDTP02743 4.56  LDD0510 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 13.90  LDD0497 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 13.61  LDD0497 
Isoleucine--tRNA ligase, mitochondrial (IARS2) LDTP12588 11.65  LDD0497 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 36.36  LDD0497 
Lanosterol synthase (LSS) LDTP04183 12.82  LDD0497 
Lysine--tRNA ligase (KARS1) LDTP06294 3.09  LDD0510 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 4.91  LDD0497 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 15.50  LDD0497 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 8.81  LDD0510 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 6.65  LDD0497 
Nardilysin (NRDC) LDTP00886 9.43  LDD0510 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 15.38  LDD0497 
Obg-like ATPase 1 (OLA1) LDTP12610 3.68  LDD0510 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 4.66  LDD0497 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 7.13  LDD0510 
Presequence protease, mitochondrial (PITRM1) LDTP07003 13.22  LDD0497 
Probable glutathione peroxidase 8 (GPX8) LDTP09495 12.66  LDD0510 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 15.75  LDD0497 
Prolyl endopeptidase-like (PREPL) LDTP06849 3.44  LDD0510 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 14.28  LDD0497 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 16.39  LDD0497 
Protein O-GlcNAcase (OGA) LDTP00988 6.70  LDD0510 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.33  LDD0510 
Ras-related protein Rab-2B (RAB2B) LDTP09569 11.76  LDD0510 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 16.67  LDD0497 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 16.81  LDD0497 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 17.09  LDD0497 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 5.75  LDD0510 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 8.31  LDD0497 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 9.16  LDD0497 
Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A beta isoform (PPP2R1B) LDTP03523 7.20  LDD0510 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 8.47  LDD0510 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 10.42  LDD0510 
Squalene monooxygenase (SQLE) LDTP06142 13.25  LDD0510 
Squalene synthase (FDFT1) LDTP03842 15.50  LDD0497 
Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (NSDHL) LDTP06455 19.23  LDD0497 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 12.27  LDD0497 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 8.50  LDD0497 
Ubiquitin carboxyl-terminal hydrolase 39 (USP39) LDTP06903 7.85  LDD0510 
Ubiquitin carboxyl-terminal hydrolase 7 (USP7) LDTP09962 3.63  LDD0510 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 10.02  LDD0497 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 13.53  LDD0497 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 9.47  LDD0510 
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⏷ Show the Full List of 84 Enzyme
23 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP-binding cassette sub-family F member 1 (ABCF1) LDTP09149 11.36  LDD0510 
Calnexin (CANX) LDTP03405 10.20  LDD0510 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 12.12  LDD0510 
Importin subunit alpha-1 (KPNA2) LDTP04501 7.23  LDD0510 
Lysosome membrane protein 2 (SCARB2) LDTP06034 11.30  LDD0497 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 11.56  LDD0510 
MICOS complex subunit MIC26 (APOO) LDTP11250 18.35  LDD0510 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.12  LDD0497 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 13.61  LDD0510 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 17.54  LDD0497 
Mpv17-like protein 2 (MPV17L2) LDTP14952 32.79  LDD0497 
Nucleoporin NDC1 (NDC1) LDTP11213 21.28  LDD0497 
Prosaposin (PSAP) LDTP02215 17.09  LDD0497 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 18.35  LDD0497 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 11.30  LDD0497 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 14.81  LDD0497 
Syntenin-1 (SDCBP) LDTP00310 9.39  LDD0510 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 13.70  LDD0510 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 11.30  LDD0510 
Transportin-1 (TNPO1) LDTP09949 3.86  LDD0510 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 17.70  LDD0497 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 18.02  LDD0497 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 10.80  LDD0497 
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⏷ Show the Full List of 23 Transporter and channel
1 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Y-box-binding protein 3 (YBX3) LDTP02870 10.32  LDD0510 
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53 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
17S U2 SnRNP complex component HTATSF1 (HTATSF1) LDTP00849 10.53  LDD0510 
26S proteasome non-ATPase regulatory subunit 11 (PSMD11) LDTP00223 4.49  LDD0510 
BTB/POZ domain-containing protein KCTD12 (KCTD12) LDTP15705 6.91  LDD0497 
Caprin-1 (CAPRIN1) LDTP06121 7.33  LDD0510 
Clustered mitochondria protein homolog (CLUH) LDTP14486 15.56  LDD0497 
Coatomer subunit beta (COPB1) LDTP04570 10.81  LDD0510 
Condensin complex subunit 1 (NCAPD2) LDTP06281 4.60  LDD0510 
Condensin complex subunit 2 (NCAPH) LDTP06268 7.87  LDD0510 
Crk-like protein (CRKL) LDTP04092 6.47  LDD0510 
DNA mismatch repair protein Msh6 (MSH6) LDTP04518 7.26  LDD0510 
Dynactin subunit 2 (DCTN2) LDTP05922 19.61  LDD0497 
Eukaryotic translation initiation factor 3 subunit E (EIF3E) LDTP04853 4.89  LDD0510 
Eukaryotic translation initiation factor 3 subunit L (EIF3L) LDTP13813 4.86  LDD0510 
Golgi apparatus protein 1 (GLG1) LDTP09920 12.66  LDD0497 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 30.30  LDD0497 
Junction plakoglobin (JUP) LDTP02756 125.00  LDD0497 
Large proline-rich protein BAG6 (BAG6) LDTP04094 8.00  LDD0510 
Lipase maturation factor 2 (LMF2) LDTP15887 14.71  LDD0510 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 11.59  LDD0497 
Negative elongation factor C/D (NELFCD) LDTP08594 9.13  LDD0510 
Neudesin (NENF) LDTP13630 16.67  LDD0497 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 3.11  LDD0510 
Nuclear migration protein nudC (NUDC) LDTP13817 7.63  LDD0510 
Nucleobindin-1 (NUCB1) LDTP05375 9.76  LDD0510 
Nucleobindin-2 (NUCB2) LDTP05160 12.35  LDD0510 
Nucleosome assembly protein 1-like 1 (NAP1L1) LDTP04684 8.58  LDD0510 
Nucleosome assembly protein 1-like 4 (NAP1L4) LDTP10965 7.83  LDD0510 
Optic atrophy 3 protein (OPA3) LDTP16006 11.63  LDD0510 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 3.53  LDD0510 
Pre-mRNA-processing factor 6 (PRPF6) LDTP01456 9.88  LDD0510 
Proliferation marker protein Ki-67 (MKI67) LDTP04078 9.11  LDD0510 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 12.88  LDD0497 
Proteasome activator complex subunit 3 (PSME3) LDTP04917 4.74  LDD0510 
Protein FAM114A2 (FAM114A2) LDTP16080 5.78  LDD0510 
Protein LYRIC (MTDH) LDTP08224 16.53  LDD0497 
Protein PRRC2A (PRRC2A) LDTP04199 5.51  LDD0510 
Protein SET (SET) LDTP05277 3.79  LDD0510 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.24  LDD0510 
Ran-specific GTPase-activating protein (RANBP1) LDTP04049 3.02  LDD0510 
Reticulon-3 (RTN3) LDTP01522 11.83  LDD0510 
Reticulon-4 (RTN4) LDTP12412 37.04  LDD0497 
Sorting nexin-9 (SNX9) LDTP14172 11.70  LDD0510 
Structural maintenance of chromosomes protein 1A (SMC1A) LDTP06181 4.24  LDD0510 
Symplekin (SYMPK) LDTP09878 7.42  LDD0510 
Syntaxin-18 (STX18) LDTP13086 9.90  LDD0510 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 3.41  LDD0510 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 22.84  LDD0497 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 12.35  LDD0497 
Tubulin beta chain (TUBB) LDTP02205 12.01  LDD0497 
Tubulin beta-2B chain (TUBB2B) LDTP11277 11.92  LDD0497 
Tubulin beta-3 chain (TUBB3) LDTP05904 12.04  LDD0497 
Tubulin beta-4B chain (TUBB4B) LDTP05076 12.43  LDD0497 
Tubulin beta-6 chain (TUBB6) LDTP11233 12.97  LDD0497 
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⏷ Show the Full List of 53 Other

Full Information of The Labelling Profiles of This Competitor

FFF probe3
 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 34
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  LDD0497  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 200 uM
Quantitative Method SILAC
Competitor Name Compound 34
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  LDD0510  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.