Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0606
Competitor Name
Fragment48
Synonyms
Benzyl Acrylfentanyl (hydrochloride); SCHEMBL18763023; NS00097880
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 320.4
Lipid-water partition coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H24N2O
IUPAC Name
N-(1-benzylpiperidin-4-yl)-N-phenylprop-2-enamide
Canonical SMILES
C=CC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H24N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18/h2-12,20H,1,13-17H2
InChIKey
BANFGBDVLADRGR-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
IA-alkyne
 Probe Info  		100 uM Human breast adenocarcinoma cell lysate (MDA-MB-231) [1]

Target(s) List of this Competitor

61 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 1.06  LDD1447 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 1.20  LDD1447 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 1.08  LDD1447 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 1.00  LDD1447 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 1.31  LDD1447 
6-phosphogluconolactonase (PGLS) LDTP14535 1.25  LDD1447 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 1.15  LDD1447 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 1.30; 1.25; 1.14  LDD1447 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 1.06  LDD1447 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 1.11; 1.17  LDD1447 
ATPase WRNIP1 (WRNIP1) LDTP10801 1.21  LDD1447 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 1.02  LDD1447 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 1.04  LDD1447 
Calpain-2 catalytic subunit (CAPN2) LDTP02911 0.96  LDD1447 
Cathepsin B (CTSB) LDTP02223 1.29  LDD1447 
Deaminated glutathione amidase (NIT1) LDTP15311 0.80  LDD1447 
Deoxycytidine kinase (DCK) LDTP03400 1.24  LDD1447 
DNA repair protein RAD50 (RAD50) LDTP09912 1.14  LDD1447 
DNA replication licensing factor MCM5 (MCM5) LDTP03681 1.18  LDD1447 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 0.93  LDD1447 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 0.86  LDD1447 
Dual specificity protein phosphatase 12 (DUSP12) LDTP13663 1.12  LDD1447 
Elongation factor 2 (EEF2) LDTP02672 1.25; 1.21  LDD1447 
Elongation factor Tu, mitochondrial (TUFM) LDTP04251 1.39  LDD1447 
Enoyl-CoA delta isomerase 2 (ECI2) LDTP01245 1.09  LDD1447 
ERO1-like protein alpha (ERO1A) LDTP10386 3.03  LDD1447 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 1.26  LDD1447 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 1.12  LDD1447 
Glutathione S-transferase P (GSTP1) LDTP02333 1.11  LDD1447 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 1.15  LDD1447 
Glycogen phosphorylase, brain form (PYGB) LDTP02552 1.20  LDD1447 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 1.09  LDD1447 
Integrin-linked protein kinase (ILK) LDTP05859 1.13  LDD1447 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 0.95  LDD1447 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 1.05  LDD1447 
Ketosamine-3-kinase (FN3KRP) LDTP16025 1.93  LDD1447 
Mannose-1-phosphate guanyltransferase alpha (GMPPA) LDTP10418 1.24  LDD1447 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 0.92  LDD1447 
Mitogen-activated protein kinase 9 (MAPK9) LDTP04076 1.05  LDD1447 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 0.82  LDD1447 
Multifunctional procollagen lysine hydroxylase and glycosyltransferase LH3 (PLOD3) LDTP01005 1.09  LDD1447 
NEDD8-activating enzyme E1 catalytic subunit (UBA3) LDTP09338 1.08  LDD1447 
Omega-amidase NIT2 (NIT2) LDTP12428 1.03  LDD1447 
Parkinson disease protein 7 (PARK7) LDTP10878 1.20  LDD1447 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 1.10  LDD1447 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 1.34  LDD1447 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 1.02  LDD1447 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 1.15  LDD1447 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 0.95  LDD1447 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 0.98  LDD1447 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 1.14  LDD1447 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 1.14  LDD1447 
Pyruvate kinase PKM (PKM) LDTP02733 1.05  LDD1447 
Ras-related GTP-binding protein C (RRAGC) LDTP12166 1.42  LDD1447 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 0.96  LDD1447 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 1.18  LDD1447 
Thioredoxin (TXN) LDTP02502 1.16  LDD1447 
Thioredoxin domain-containing protein 5 (TXNDC5) LDTP09067 0.92  LDD1447 
Thymidine kinase, cytosolic (TK1) LDTP02022 1.33  LDD1447 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 1.14; 1.13; 1.13  LDD1447 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 1.11; 1.18; 1.11  LDD1447 
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⏷ Show the Full List of 61 Enzyme
10 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 1.02  LDD1447 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 1.05  LDD1447 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 1.15  LDD1447 
Exportin-1 (XPO1) LDTP00501 1.13  LDD1447 
Exportin-2 (CSE1L) LDTP04662 1.11  LDD1447 
Nuclear pore complex protein Nup214 (NUP214) LDTP03777 1.47  LDD1447 
Nucleoporin NUP35 (NUP35) LDTP09204 1.65  LDD1447 
Protein SEC13 homolog (SEC13) LDTP04707 1.15  LDD1447 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 1.08  LDD1447 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 1.02  LDD1447 
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⏷ Show the Full List of 10 Transporter and channel
3 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
eIF5-mimic protein 2 (BZW1) LDTP07940 1.30  LDD1447 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 1.12  LDD1447 
SWI/SNF complex subunit SMARCC2 (SMARCC2) LDTP09311 1.10  LDD1447 
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55 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin filament-associated protein 1 (AFAP1) LDTP08885 0.92  LDD1447 
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 1.01  LDD1447 
Actin-related protein 3 (ACTR3) LDTP04902 0.96  LDD1447 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 1.22  LDD1447 
Anillin (ANLN) LDTP12443 1.28  LDD1447 
Calponin-2 (CNN2) LDTP10864 1.08; 1.23  LDD1447 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 1.05  LDD1447 
Cofilin-1 (CFL1) LDTP03244 0.87  LDD1447 
Coronin-1C (CORO1C) LDTP13580 1.18; 1.29  LDD1447 
Cyclin-H (CCNH) LDTP04487 1.34  LDD1447 
Cysteine and glycine-rich protein 2 (CSRP2) LDTP06542 1.06  LDD1447 
Cytosolic iron-sulfur assembly component 2B (CIAO2B) LDTP13979 1.13  LDD1447 
Dedicator of cytokinesis protein 7 (DOCK7) LDTP10613 1.32  LDD1447 
Eukaryotic translation initiation factor 3 subunit J (EIF3J) LDTP01320 1.08  LDD1447 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 1.05  LDD1447 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 1.04  LDD1447 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 1.19  LDD1447 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 1.16  LDD1447 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 1.42  LDD1447 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 1.10; 1.27; 1.57  LDD1447 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 0.88  LDD1447 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 1.47  LDD1447 
Large ribosomal subunit protein uL16 (RPL10) LDTP03395 1.15  LDD1447 
Large ribosomal subunit protein uL4 (RPL4) LDTP03815 0.90  LDD1447 
LIM and calponin homology domains-containing protein 1 (LIMCH1) LDTP13705 1.46  LDD1447 
Mediator of RNA polymerase II transcription subunit 17 (MED17) LDTP12669 0.98  LDD1447 
Mini-chromosome maintenance complex-binding protein (MCMBP) LDTP11197 1.37  LDD1447 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 1.12  LDD1447 
Nuclear migration protein nudC (NUDC) LDTP13817 1.23  LDD1447 
Plectin (PLEC) LDTP06330 0.84  LDD1447 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 1.08; 1.11  LDD1447 
Protein CBFA2T2 (CBFA2T2) LDTP00768 1.75  LDD1447 
Protein lin-7 homolog C (LIN7C) LDTP12638 1.04  LDD1447 
Protein S100-A11 (S100A11) LDTP03620 1.25  LDD1447 
Ras GTPase-activating-like protein IQGAP1 (IQGAP1) LDTP04117 1.16  LDD1447 
Reticulon-4 (RTN4) LDTP12412 1.76  LDD1447 
Serpin H1 (SERPINH1) LDTP04363 1.31  LDD1447 
Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 1.10  LDD1447 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 1.16  LDD1447 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 1.23  LDD1447 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 1.23  LDD1447 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 1.19; 1.13  LDD1447 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 1.09  LDD1447 
SNW domain-containing protein 1 (SNW1) LDTP05930 1.41  LDD1447 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 1.00  LDD1447 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 1.00  LDD1447 
T-complex protein 1 subunit eta (CCT7) LDTP10990 1.12  LDD1447 
TBC1 domain family member 23 (TBC1D23) LDTP12651 1.09  LDD1447 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 1.52  LDD1447 
Transcription initiation factor IIA subunit 2 (GTF2A2) LDTP04517 1.43  LDD1447 
Treacle protein (TCOF1) LDTP05867 1.38  LDD1447 
Tropomodulin-3 (TMOD3) LDTP18494 1.04  LDD1447 
U4/U6.U5 tri-snRNP-associated protein 1 (SART1) LDTP00727 1.29  LDD1447 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 1.89  LDD1447 
WW domain-containing adapter protein with coiled-coil (WAC) LDTP11191 1.16  LDD1447 
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⏷ Show the Full List of 55 Other

Full Information of The Labelling Profiles of This Competitor

IA-alkyne
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Competitor Name Fragment48
Competitor Concentration 500 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Breast
Disease Model Breast adenocarcinoma [ICD-11:2C60]
Model Name Human breast adenocarcinoma cell lysate (MDA-MB-231)
Interaction Atlas ID  LDD1447  Download The Altas

References

1 Proteome-wide covalent ligand discovery in native biological systems. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15.