Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0577
Competitor Name
Fragment15
Synonyms
SCHEMBL18763021; HHBWURMYTDWQKL-UHFFFAOYSA-N; N-[4-phenoxy-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 398.4
Lipid-water partition coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C22H17F3N2O2
IUPAC Name
N-[4-phenoxy-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
Canonical SMILES
C=CC(=O)N(CC1=CN=CC=C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C22H17F3N2O2/c1-2-21(28)27(15-16-7-6-12-26-14-16)17-10-11-20(19(13-17)22(23,24)25)29-18-8-4-3-5-9-18/h2-14H,1,15H2
InChIKey
HHBWURMYTDWQKL-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

90 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 0.51  LDD1400 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 1.31  LDD1399 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 0.70  LDD1399 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 1.09  LDD1400 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 6.83  LDD1400 
6-phosphogluconolactonase (PGLS) LDTP14535 1.42  LDD1400 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 2.58  LDD1399 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 1.03; 0.90; 1.21 ...  LDD1399 
Acylamino-acid-releasing enzyme (APEH) LDTP02693 1.63  LDD1400 
Adenosine 5'-monophosphoramidase HINT1 (HINT1) LDTP04306 0.80  LDD1400 
Adenosine kinase (ADK) LDTP04689 3.65  LDD1399 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 0.74  LDD1399 
AMP deaminase 2 (AMPD2) LDTP05289 1.62  LDD1400 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 1.56  LDD1400 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 5.92; 4.27  LDD1399 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 1.98  LDD1400 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 2.74; 1.10  LDD1400 
Calpain-2 catalytic subunit (CAPN2) LDTP02911 0.90  LDD1399 
Cathepsin B (CTSB) LDTP02223 1.49  LDD1399 
Cathepsin D (CTSD) LDTP02198 1.21  LDD1399 
Cathepsin Z (CTSZ) LDTP13147 1.14  LDD1399 
Cell cycle checkpoint control protein RAD9A (RAD9A) LDTP10929 0.94  LDD1400 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 0.79  LDD1399 
Cyclin-dependent kinase 19 (CDK19) LDTP11340 1.43  LDD1400 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 0.89  LDD1400 
Cyclin-dependent kinase inhibitor 3 (CDKN3) LDTP06603 1.35  LDD1400 
Cytidine deaminase (CDA) LDTP03642 1.15  LDD1399 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 20.00  LDD1400 
Deoxycytidine kinase (DCK) LDTP03400 1.54; 1.19  LDD1400 
DNA repair protein RAD50 (RAD50) LDTP09912 1.61  LDD1400 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 1.14  LDD1400 
Dual specificity protein phosphatase 12 (DUSP12) LDTP13663 1.09  LDD1400 
Dynamin-1-like protein (DNM1L) LDTP00273 2.59  LDD1400 
Dynamin-2 (DNM2) LDTP04374 1.09  LDD1400 
E3 ubiquitin-protein ligase HUWE1 (HUWE1) LDTP08135 0.93  LDD1399 
E3 ubiquitin-protein ligase UBR5 (UBR5) LDTP01495 1.40  LDD1400 
Elongation factor 2 (EEF2) LDTP02672 1.12; 0.94  LDD1399 
Elongation factor G, mitochondrial (GFM1) LDTP10774 0.88  LDD1399 
ERO1-like protein alpha (ERO1A) LDTP10386 1.40; 1.48; 1.14  LDD1399 
Galactokinase (GALK1) LDTP04424 2.01  LDD1400 
Glutaredoxin-1 (GLRX) LDTP03786 0.79  LDD1400 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 0.53  LDD1399 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 0.82  LDD1400 
Glutathione S-transferase P (GSTP1) LDTP02333 2.48  LDD1399 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 0.79  LDD1399 
Glycerol-3-phosphate phosphatase (PGP) LDTP00089 0.92  LDD1399 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 1.27  LDD1399 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 1.00  LDD1400 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 0.60  LDD1400 
Ketosamine-3-kinase (FN3KRP) LDTP16025 2.76  LDD1400 
Lysine-specific demethylase 4B (KDM4B) LDTP01470 1.13  LDD1400 
Mannose-1-phosphate guanyltransferase alpha (GMPPA) LDTP10418 1.48  LDD1400 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 1.56  LDD1399 
Multifunctional procollagen lysine hydroxylase and glycosyltransferase LH3 (PLOD3) LDTP01005 1.06  LDD1400 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 1.35; 1.01  LDD1400 
NEDD8-activating enzyme E1 catalytic subunit (UBA3) LDTP09338 1.19  LDD1400 
Omega-amidase NIT2 (NIT2) LDTP12428 1.10  LDD1400 
Parkinson disease protein 7 (PARK7) LDTP10878 0.80  LDD1399 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 0.68  LDD1399 
Peroxiredoxin-4 (PRDX4) LDTP05773 1.02  LDD1399 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 1.00; 0.85  LDD1400 
Persulfide dioxygenase ETHE1, mitochondrial (ETHE1) LDTP01633 1.62  LDD1400 
Probable ATP-dependent RNA helicase DDX59 (DDX59) LDTP07098 1.03  LDD1400 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 0.81  LDD1399 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 0.90  LDD1399 
Protein disulfide-isomerase (P4HB) LDTP02188 0.73  LDD1399 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 0.70  LDD1399 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 0.70; 0.70  LDD1399 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 0.81  LDD1399 
Protein PML (PML) LDTP03496 2.38  LDD1399 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 1.05  LDD1399 
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (PCMT1) LDTP03152 1.44  LDD1400 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 1.14  LDD1399 
Pyruvate kinase PKM (PKM) LDTP02733 1.64  LDD1400 
Ras-related GTP-binding protein C (RRAGC) LDTP12166 1.08  LDD1399 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 0.80  LDD1400 
Serine/threonine-protein kinase MRCK beta (CDC42BPB) LDTP14155 0.82  LDD1399 
Serine/threonine-protein kinase Nek9 (NEK9) LDTP09412 0.88  LDD1400 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform (PPP2R5D) LDTP06199 1.38  LDD1400 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 2.28  LDD1400 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 1.01  LDD1399 
Thioredoxin (TXN) LDTP02502 1.02  LDD1399 
Thioredoxin domain-containing protein 5 (TXNDC5) LDTP09067 1.03; 1.06  LDD1400 
Thymidine kinase, cytosolic (TK1) LDTP02022 1.23  LDD1400 
Transmembrane protease serine 12 (TMPRSS12) LDTP15306 0.52  LDD1400 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 2.19; 4.05; 2.25  LDD1399 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 2.90; 2.32  LDD1399 
Ubiquitin-conjugating enzyme E2 L3 (UBE2L3) LDTP05070 1.29  LDD1400 
Ubiquitin-conjugating enzyme E2 S (UBE2S) LDTP06621 1.21  LDD1400 
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (OGT) LDTP00601 0.84  LDD1400 
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⏷ Show the Full List of 90 Enzyme
13 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Apoptotic chromatin condensation inducer in the nucleus (ACIN1) LDTP13490 1.14  LDD1400 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 0.93  LDD1399 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 0.80  LDD1399 
Exportin-1 (XPO1) LDTP00501 0.79  LDD1399 
Exportin-2 (CSE1L) LDTP04662 0.88  LDD1400 
Gasdermin-D (GSDMD) LDTP04801 3.04  LDD1400 
Importin-7 (IPO7) LDTP01574 0.54  LDD1399 
Protein SEC13 homolog (SEC13) LDTP04707 1.15  LDD1400 
Signal recognition particle 9 kDa protein (SRP9) LDTP04259 1.06  LDD1399 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 1.33  LDD1400 
Sorting nexin-6 (SNX6) LDTP13661 0.90  LDD1400 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 2.06  LDD1400 
THO complex subunit 6 homolog (THOC6) LDTP08315 1.08  LDD1400 
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⏷ Show the Full List of 13 Transporter and channel
6 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
eIF5-mimic protein 2 (BZW1) LDTP07940 0.83  LDD1399 
Glucocorticoid receptor (NR3C1) LDTP02016 0.89  LDD1400 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 0.92  LDD1399 
Recombining binding protein suppressor of hairless (RBPJ) LDTP05485 0.77  LDD1400 
Signal transducer and activator of transcription 1-alpha/beta (STAT1) LDTP03969 0.99  LDD1400 
SWI/SNF complex subunit SMARCC2 (SMARCC2) LDTP09311 1.16  LDD1400 
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⏷ Show the Full List of 6 Transcription factor
80 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 2.30  LDD1399 
Actin-related protein 3 (ACTR3) LDTP04902 2.60  LDD1400 
AH receptor-interacting protein (AIP) LDTP00202 1.36  LDD1400 
Alpha-actinin-1 (ACTN1) LDTP02631 0.98  LDD1399 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 1.05  LDD1399 
Anillin (ANLN) LDTP12443 0.96  LDD1400 
Ataxin-7-like protein 3B (ATXN7L3B) LDTP15730 3.03  LDD1400 
BRISC and BRCA1-A complex member 1 (BABAM1) LDTP12737 1.41  LDD1400 
Calponin-2 (CNN2) LDTP10864 1.74; 1.71  LDD1400 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 3.74  LDD1400 
Cofilin-1 (CFL1) LDTP03244 0.78  LDD1400 
Condensin complex subunit 1 (NCAPD2) LDTP06281 9.89  LDD1400 
Coronin-1C (CORO1C) LDTP13580 1.44; 1.02  LDD1400 
Crk-like protein (CRKL) LDTP04092 1.52  LDD1400 
Cytoplasmic dynein 1 heavy chain 1 (DYNC1H1) LDTP06083 1.17  LDD1400 
Cytosolic iron-sulfur assembly component 2B (CIAO2B) LDTP13979 1.78  LDD1400 
Disks large-associated protein 5 (DLGAP5) LDTP06378 1.69  LDD1400 
DNA mismatch repair protein Msh2 (MSH2) LDTP04028 1.17  LDD1400 
Dynactin subunit 1 (DCTN1) LDTP06082 0.91  LDD1400 
Dynamin-binding protein (DNMBP) LDTP07755 2.63  LDD1400 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 0.86  LDD1400 
Enhancer of mRNA-decapping protein 3 (EDC3) LDTP10299 1.28  LDD1400 
FH1/FH2 domain-containing protein 1 (FHOD1) LDTP14195 0.90  LDD1400 
GrpE protein homolog 1, mitochondrial (GRPEL1) LDTP12144 0.60  LDD1399 
Heat shock 70 kDa protein 4 (HSPA4) LDTP03695 0.78  LDD1400 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 0.66  LDD1400 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 1.04  LDD1400 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 7.43  LDD1399 
Hsp70-binding protein 1 (HSPBP1) LDTP12914 1.14  LDD1400 
Integrator complex subunit 13 (INTS13) LDTP12685 20.00  LDD1400 
Inverted formin-2 (INF2) LDTP06681 3.24  LDD1399 
Kinectin (KTN1) LDTP08238 1.28  LDD1399 
Kinetochore protein NDC80 homolog (NDC80) LDTP00431 1.95  LDD1400 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 2.34  LDD1399 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 2.75  LDD1400 
Large ribosomal subunit protein uL16 (RPL10) LDTP03395 1.99  LDD1400 
Large ribosomal subunit protein uL3 (RPL3) LDTP03865 1.20  LDD1399 
Large ribosomal subunit protein uL4 (RPL4) LDTP03815 1.32  LDD1400 
Leucine-rich repeat-containing protein 41 (LRRC41) LDTP06362 1.42  LDD1400 
Mini-chromosome maintenance complex-binding protein (MCMBP) LDTP11197 1.21  LDD1399 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 20.00  LDD1400 
MOB-like protein phocein (MOB4) LDTP13964 4.37  LDD1399 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 1.44  LDD1399 
Nuclear migration protein nudC (NUDC) LDTP13817 1.17  LDD1400 
Nuclear mitotic apparatus protein 1 (NUMA1) LDTP06244 0.91  LDD1399 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 1.28  LDD1399 
Plastin-3 (PLS3) LDTP02692 1.62  LDD1399 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 1.06; 0.96  LDD1399 
Programmed cell death 6-interacting protein (PDCD6IP) LDTP09580 1.29  LDD1399 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 1.16  LDD1400 
Proteasome activator complex subunit 4 (PSME4) LDTP06250 1.72  LDD1400 
Protein diaphanous homolog 1 (DIAPH1) LDTP01011 1.11  LDD1400 
Protein misato homolog 1 (MSTO1) LDTP11239 1.14  LDD1400 
Protein PAXX (PAXX) LDTP11235 0.72  LDD1399 
Protein S100-A11 (S100A11) LDTP03620 1.35  LDD1399 
Protein unc-45 homolog A (UNC45A) LDTP11890 1.31  LDD1400 
Ras GTPase-activating-like protein IQGAP1 (IQGAP1) LDTP04117 1.08  LDD1399 
Ribosomal protein eL42-like (RPL36AL) LDTP15677 1.36  LDD1399 
Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 1.17  LDD1399 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 1.09  LDD1400 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 1.42  LDD1399 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 2.41  LDD1399 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 1.14  LDD1399 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 2.44  LDD1400 
SNW domain-containing protein 1 (SNW1) LDTP05930 2.09  LDD1400 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 1.84  LDD1400 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 1.05  LDD1399 
Structural maintenance of chromosomes protein 2 (SMC2) LDTP01567 1.62  LDD1400 
T-complex protein 1 subunit alpha (TCP1) LDTP02934 1.61  LDD1399 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 1.23  LDD1400 
T-complex protein 1 subunit eta (CCT7) LDTP10990 3.81  LDD1400 
T-complex protein 1 subunit theta (CCT8) LDTP04390 0.96  LDD1399 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 1.29  LDD1400 
Transcription initiation factor IIA subunit 2 (GTF2A2) LDTP04517 0.84  LDD1399 
Treacle protein (TCOF1) LDTP05867 1.58  LDD1399 
Tropomodulin-3 (TMOD3) LDTP18494 0.74  LDD1399 
Tubulin beta chain (TUBB) LDTP02205 2.84  LDD1399 
WD repeat and HMG-box DNA-binding protein 1 (WDHD1) LDTP01299 1.03  LDD1400 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 3.92  LDD1399 
WW domain-containing adapter protein with coiled-coil (WAC) LDTP11191 1.53  LDD1400 
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⏷ Show the Full List of 80 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 Fragment15
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  LDD1399  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Competitor Name Fragment15
Competitor Concentration 500 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Lymph node
Disease Model Burkitt lymphoma [ICD-11:2A85]
Model Name Human burkitt lymphoma cell lysate (Ramos)
Interaction Atlas ID  LDD1400  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.