Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0192
Competitor Name
Compound 35
Synonyms
AKOS034284618; Z406392028
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.3
Lipid-water partition coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H14N2O4
IUPAC Name
7-[(3-benzyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
Canonical SMILES
C1=CC=C(C=C1)CC2=NOC(=N2)COC3=CC4=C(C=C3)C=CC(=O)O4
InChI
InChI=1S/C19H14N2O4/c22-19-9-7-14-6-8-15(11-16(14)24-19)23-12-18-20-17(21-25-18)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKey
CAPPJFIZDWHULS-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

83 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 4 (PSMC1) LDTP04962 3.15  LDD0509 
26S proteasome regulatory subunit 8 (PSMC5) LDTP04963 3.01  LDD0509 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 8.89  LDD0491 
ADP-dependent glucokinase (ADPGK) LDTP11127 8.47  LDD0509 
ADP-ribosylation factor 5 (ARF5) LDTP05193 5.71  LDD0509 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 9.09  LDD0509 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 12.74  LDD0491 
ATP synthase subunit beta, mitochondrial (ATP5F1B) LDTP02150 4.81  LDD0491 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 8.51  LDD0509 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 4.93  LDD0509 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 6.31  LDD0509 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 4.40  LDD0509 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 9.85  LDD0491 
Cathepsin D (CTSD) LDTP02198 15.87  LDD0491 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 7.12  LDD0509 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 3.88  LDD0509 
Cyclin-dependent kinase 9 (CDK9) LDTP04384 4.80  LDD0509 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 12.56  LDD0491 
Cytochrome b5 type B (CYB5B) LDTP00697 10.99  LDD0491 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 7.88  LDD0491 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 7.69  LDD0491 
Delta(24)-sterol reductase (DHCR24) LDTP06375 9.48  LDD0491 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 11.17  LDD0491 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 7.38  LDD0491 
DNA replication licensing factor MCM7 (MCM7) LDTP03682 6.39  LDD0509 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B (STT3B) LDTP09388 4.54  LDD0509 
E3 ubiquitin-protein ligase TRIM33 (TRIM33) LDTP13702 12.27  LDD0491 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 13.07  LDD0491 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.22  LDD0491 
Exonuclease 1 (EXO1) LDTP13751 6.83  LDD0491 
GTP-binding protein Rheb (RHEB) LDTP06371 6.56  LDD0509 
Haloacid dehalogenase-like hydrolase domain-containing protein 3 (HDHD3) LDTP15879 4.62  LDD0509 
Heme oxygenase 2 (HMOX2) LDTP03540 5.21  LDD0491 
Histidine--tRNA ligase, cytoplasmic (HARS1) LDTP02602 5.36  LDD0491 
Insulin-degrading enzyme (IDE) LDTP02743 4.27  LDD0509 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 6.15  LDD0491 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 10.87  LDD0491 
Isoleucine--tRNA ligase, mitochondrial (IARS2) LDTP12588 8.33  LDD0491 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 11.76  LDD0491 
Lanosterol synthase (LSS) LDTP04183 6.67  LDD0491 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 4.55  LDD0491 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.58  LDD0491 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 5.38  LDD0509 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 5.69  LDD0491 
NADH-ubiquinone oxidoreductase chain 5 (MT-ND5) LDTP01986 3.52  LDD0509 
Nardilysin (NRDC) LDTP00886 7.07  LDD0509 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.68  LDD0491 
Nucleotide triphosphate diphosphatase NUDT15 (NUDT15) LDTP12657 4.52  LDD0509 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 4.32  LDD0509 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 4.88  LDD0509 
Presequence protease, mitochondrial (PITRM1) LDTP07003 9.58  LDD0491 
Probable glutathione peroxidase 8 (GPX8) LDTP09495 9.13  LDD0509 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 11.70  LDD0491 
Prostaglandin reductase 2 (PTGR2) LDTP08979 7.87  LDD0491 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.70  LDD0491 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 8.00  LDD0491 
Protein O-GlcNAcase (OGA) LDTP00988 5.72  LDD0509 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.35  LDD0509 
Ras-related protein Rab-24 (RAB24) LDTP10020 6.10  LDD0509 
Ras-related protein Rab-2B (RAB2B) LDTP09569 5.49  LDD0509 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 14.39  LDD0491 
Ribonucleoside-diphosphate reductase subunit M2 (RRM2) LDTP03592 5.24  LDD0509 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 7.66  LDD0491 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 7.41  LDD0491 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 4.67  LDD0509 
S-adenosylhomocysteine hydrolase-like protein 1 (AHCYL1) LDTP00890 5.01  LDD0509 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 4.03  LDD0491 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 4.22  LDD0491 
Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A beta isoform (PPP2R1B) LDTP03523 4.02  LDD0509 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 4.41  LDD0509 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 7.14  LDD0509 
Squalene monooxygenase (SQLE) LDTP06142 10.75  LDD0509 
Squalene synthase (FDFT1) LDTP03842 10.05  LDD0491 
STE20-like serine/threonine-protein kinase (SLK) LDTP11819 4.40  LDD0509 
Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (NSDHL) LDTP06455 19.61  LDD0491 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 11.64  LDD0491 
Thimet oligopeptidase (THOP1) LDTP04542 3.42  LDD0509 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 9.37  LDD0491 
TRMT1-like protein (TRMT1L) LDTP15236 6.29  LDD0509 
Ubiquitin carboxyl-terminal hydrolase 39 (USP39) LDTP06903 3.95  LDD0509 
UDP-glucose:glycoprotein glucosyltransferase 1 (UGGT1) LDTP12851 6.54  LDD0509 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 9.05  LDD0491 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 5.53  LDD0509 
------------------------------------------------------------------------------------
⏷ Show the Full List of 83 Enzyme
27 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 5.35  LDD0509 
ATP-binding cassette sub-family F member 1 (ABCF1) LDTP09149 6.49  LDD0509 
Calnexin (CANX) LDTP03405 7.84  LDD0509 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 9.52  LDD0509 
Importin subunit alpha-1 (KPNA2) LDTP04501 5.10  LDD0509 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.41  LDD0491 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 9.26  LDD0509 
MICOS complex subunit MIC26 (APOO) LDTP11250 9.66  LDD0509 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 3.94  LDD0509 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 6.99  LDD0509 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.57  LDD0491 
Mpv17-like protein 2 (MPV17L2) LDTP14952 7.84  LDD0491 
Nucleoporin NDC1 (NDC1) LDTP11213 10.36  LDD0491 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 11.17  LDD0509 
Prosaposin (PSAP) LDTP02215 12.27  LDD0491 
Protein FAM8A1 (FAM8A1) LDTP16190 10.31  LDD0509 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 15.38  LDD0491 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 4.40  LDD0491 
Sorting nexin-1 (SNX1) LDTP05938 6.58  LDD0509 
Syntenin-1 (SDCBP) LDTP00310 9.71  LDD0509 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 9.71  LDD0509 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 8.26  LDD0509 
Transportin-1 (TNPO1) LDTP09949 3.08  LDD0509 
Tubulin beta-1 chain (TUBB1) LDTP11916 3.24  LDD0491 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 16.26  LDD0491 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 12.66  LDD0491 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 8.92  LDD0491 
------------------------------------------------------------------------------------
⏷ Show the Full List of 27 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 5.55  LDD0509 
------------------------------------------------------------------------------------
59 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
17S U2 SnRNP complex component HTATSF1 (HTATSF1) LDTP00849 5.59  LDD0509 
26S proteasome non-ATPase regulatory subunit 11 (PSMD11) LDTP00223 3.38  LDD0509 
Annexin A7 (ANXA7) LDTP03030 3.92  LDD0509 
AP-3 complex subunit mu-1 (AP3M1) LDTP13908 4.37  LDD0509 
Arfaptin-1 (ARFIP1) LDTP04558 6.17  LDD0509 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 3.63  LDD0491 
BTB/POZ domain-containing protein KCTD12 (KCTD12) LDTP15705 5.39  LDD0491 
C-Jun-amino-terminal kinase-interacting protein 4 (SPAG9) LDTP00934 5.04  LDD0509 
Caprin-1 (CAPRIN1) LDTP06121 4.04  LDD0509 
Clustered mitochondria protein homolog (CLUH) LDTP14486 6.62  LDD0491 
Coatomer subunit beta (COPB1) LDTP04570 6.04  LDD0509 
Coiled-coil domain-containing protein 6 (CCDC6) LDTP06515 5.43  LDD0509 
Condensin complex subunit 2 (NCAPH) LDTP06268 6.58  LDD0509 
Crk-like protein (CRKL) LDTP04092 3.19  LDD0509 
DNA mismatch repair protein Msh6 (MSH6) LDTP04518 4.37  LDD0509 
Dynactin subunit 2 (DCTN2) LDTP05922 8.97  LDD0491 
Dynactin subunit 4 (DCTN4) LDTP13402 5.99  LDD0509 
Eukaryotic translation initiation factor 3 subunit E (EIF3E) LDTP04853 3.74  LDD0509 
Eukaryotic translation initiation factor 3 subunit L (EIF3L) LDTP13813 3.69  LDD0509 
Eukaryotic translation initiation factor 4H (EIF4H) LDTP06301 3.14  LDD0509 
Golgi apparatus protein 1 (GLG1) LDTP09920 9.62  LDD0491 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 9.26  LDD0491 
Junction plakoglobin (JUP) LDTP02756 7.66  LDD0491 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.57  LDD0509 
Lipase maturation factor 2 (LMF2) LDTP15887 7.66  LDD0509 
Malignant T-cell-amplified sequence 1 (MCTS1) LDTP13532 6.35  LDD0509 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 4.71  LDD0491 
Negative elongation factor C/D (NELFCD) LDTP08594 8.97  LDD0509 
Neudesin (NENF) LDTP13630 11.05  LDD0491 
Nuclear migration protein nudC (NUDC) LDTP13817 3.84  LDD0509 
Nucleobindin-1 (NUCB1) LDTP05375 9.43  LDD0509 
Nucleobindin-2 (NUCB2) LDTP05160 9.52  LDD0509 
Nucleosome assembly protein 1-like 1 (NAP1L1) LDTP04684 6.25  LDD0509 
Nucleosome assembly protein 1-like 4 (NAP1L4) LDTP10965 6.17  LDD0509 
Optic atrophy 3 protein (OPA3) LDTP16006 6.41  LDD0509 
Pre-mRNA-processing factor 6 (PRPF6) LDTP01456 4.04  LDD0509 
Proliferation marker protein Ki-67 (MKI67) LDTP04078 4.69  LDD0509 
Proteasome activator complex subunit 3 (PSME3) LDTP04917 3.30  LDD0509 
Protein FAM114A2 (FAM114A2) LDTP16080 6.47  LDD0509 
Protein LYRIC (MTDH) LDTP08224 10.00  LDD0491 
Protein PRRC2A (PRRC2A) LDTP04199 5.73  LDD0509 
Protein PRRC2C (PRRC2C) LDTP14085 6.60  LDD0509 
Protein SET (SET) LDTP05277 3.01  LDD0509 
Protein unc-119 homolog B (UNC119B) LDTP00105 6.37  LDD0509 
Reticulon-3 (RTN3) LDTP01522 5.99  LDD0509 
Reticulon-4 (RTN4) LDTP12412 7.55  LDD0491 
Ribosome-binding protein 1 (RRBP1) LDTP13044 6.17  LDD0509 
RNA-binding protein Raly (RALY) LDTP13467 3.63  LDD0509 
Squamous cell carcinoma antigen recognized by T-cells 3 (SART3) LDTP06280 3.61  LDD0509 
Symplekin (SYMPK) LDTP09878 4.06  LDD0509 
Syntaxin-18 (STX18) LDTP13086 8.44  LDD0509 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 5.31  LDD0491 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 5.26  LDD0491 
Tropomyosin alpha-4 chain (TPM4) LDTP05068 6.19  LDD0509 
Tubulin beta chain (TUBB) LDTP02205 6.53  LDD0491 
Tubulin beta-2B chain (TUBB2B) LDTP11277 6.64  LDD0491 
Tubulin beta-3 chain (TUBB3) LDTP05904 6.59  LDD0491 
Tubulin beta-4B chain (TUBB4B) LDTP05076 6.94  LDD0491 
Tubulin beta-6 chain (TUBB6) LDTP11233 6.69  LDD0491 
------------------------------------------------------------------------------------
⏷ Show the Full List of 59 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 35
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  LDD0491  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 200 uM
Quantitative Method SILAC
Competitor Name Compound 35
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  LDD0509  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.