Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0197
Competitor Name
Compound 40
Synonyms
Oprea1_611728; 3-(1H-benzimidazol-2-yl)-6-methyl-2H-chromen-2-one; SCHEMBL12388196; STL357745; AKOS000418861; EU-0075776; 3-(1H-1,3-BENZODIAZOL-2-YL)-6-METHYL-2H-CHROMEN-2-ONE
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 276.29
Lipid-water partition coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H12N2O2
IUPAC Name
3-(1H-benzimidazol-2-yl)-6-methylchromen-2-one
Canonical SMILES
CC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H12N2O2/c1-10-6-7-15-11(8-10)9-12(17(20)21-15)16-18-13-4-2-3-5-14(13)19-16/h2-9H,1H3,(H,18,19)
InChIKey
AHDRAUGWDUXXFF-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  		20 uM Human normal cells (HEK-293T) [1]

Target(s) List of this Competitor

43 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 13.61  LDD0495 
Adenosine kinase (ADK) LDTP04689 10.47  LDD0495 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 13.42  LDD0495 
ATP synthase subunit beta, mitochondrial (ATP5F1B) LDTP02150 3.84  LDD0495 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 11.49  LDD0495 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 9.95  LDD0495 
Cathepsin D (CTSD) LDTP02198 16.53  LDD0495 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 10.41  LDD0495 
Cytochrome b5 type B (CYB5B) LDTP00697 13.16  LDD0495 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 8.84  LDD0495 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 15.50  LDD0495 
Delta(24)-sterol reductase (DHCR24) LDTP06375 18.35  LDD0495 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 12.82  LDD0495 
DNA replication licensing factor MCM4 (MCM4) LDTP03680 3.46  LDD0495 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 11.30  LDD0495 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 14.81  LDD0495 
Epoxide hydrolase 1 (EPHX1) LDTP02175 12.20  LDD0495 
Exonuclease 1 (EXO1) LDTP13751 10.81  LDD0495 
Heme oxygenase 2 (HMOX2) LDTP03540 13.16  LDD0495 
Histidine--tRNA ligase, cytoplasmic (HARS1) LDTP02602 6.51  LDD0495 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 8.26  LDD0495 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 14.93  LDD0495 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 11.98  LDD0495 
Lanosterol synthase (LSS) LDTP04183 11.05  LDD0495 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 12.99  LDD0495 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 17.24  LDD0495 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 5.23  LDD0495 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 10.00  LDD0495 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 4.33  LDD0495 
Presequence protease, mitochondrial (PITRM1) LDTP07003 9.52  LDD0495 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 16.26  LDD0495 
Prostaglandin reductase 2 (PTGR2) LDTP08979 14.39  LDD0495 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.61  LDD0495 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 10.47  LDD0495 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 14.29  LDD0495 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 9.01  LDD0495 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 9.22  LDD0495 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 8.18  LDD0495 
Squalene synthase (FDFT1) LDTP03842 11.43  LDD0495 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 8.36  LDD0495 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 7.08  LDD0495 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 6.14  LDD0495 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 8.62  LDD0495 
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⏷ Show the Full List of 43 Enzyme
10 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 15.50  LDD0495 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 15.27  LDD0495 
Mpv17-like protein 2 (MPV17L2) LDTP14952 19.05  LDD0495 
Nucleoporin NDC1 (NDC1) LDTP11213 7.60  LDD0495 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 14.29  LDD0495 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 14.49  LDD0495 
Tubulin beta-1 chain (TUBB1) LDTP11916 3.96  LDD0495 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 13.61  LDD0495 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 14.39  LDD0495 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 8.67  LDD0495 
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⏷ Show the Full List of 10 Transporter and channel
16 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 13.99  LDD0495 
BTB/POZ domain-containing protein KCTD12 (KCTD12) LDTP15705 3.83  LDD0495 
Clustered mitochondria protein homolog (CLUH) LDTP14486 10.77  LDD0495 
Dynactin subunit 2 (DCTN2) LDTP05922 13.70  LDD0495 
Golgi apparatus protein 1 (GLG1) LDTP09920 15.27  LDD0495 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 14.29  LDD0495 
Junction plakoglobin (JUP) LDTP02756 7.69  LDD0495 
Neudesin (NENF) LDTP13630 13.33  LDD0495 
Protein LYRIC (MTDH) LDTP08224 8.20  LDD0495 
Reticulon-4 (RTN4) LDTP12412 8.00  LDD0495 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 5.99  LDD0495 
Tubulin beta chain (TUBB) LDTP02205 6.13  LDD0495 
Tubulin beta-2B chain (TUBB2B) LDTP11277 6.05  LDD0495 
Tubulin beta-3 chain (TUBB3) LDTP05904 6.02  LDD0495 
Tubulin beta-4B chain (TUBB4B) LDTP05076 6.44  LDD0495 
Tubulin beta-6 chain (TUBB6) LDTP11233 6.49  LDD0495 
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⏷ Show the Full List of 16 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 40
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  LDD0495  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.