Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0598
Competitor Name
Fragment40
Synonyms
SCHEMBL18763028
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 254.12
Lipid-water partition coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C11H12BrNO
IUPAC Name
N-(4-bromo-2,5-dimethylphenyl)prop-2-enamide
Canonical SMILES
CC1=CC(=C(C=C1Br)C)NC(=O)C=C
InChI
InChI=1S/C11H12BrNO/c1-4-11(14)13-10-6-7(2)9(12)5-8(10)3/h4-6H,1H2,2-3H3,(H,13,14)
InChIKey
BXBPLMBKUVLEHZ-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 10B (PSMC6) LDTP04987 1.05; 0.78  LDD1436 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 0.90  LDD1436 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 0.80  LDD1436 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 1.55  LDD1437 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 0.70  LDD1437 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 1.31  LDD1437 
6-phosphogluconolactonase (PGLS) LDTP14535 0.96  LDD1436 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 0.84  LDD1436 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 0.83; 0.81; 0.94 ...  LDD1436 
Acylamino-acid-releasing enzyme (APEH) LDTP02693 1.13  LDD1437 
Adenosine 5'-monophosphoramidase HINT1 (HINT1) LDTP04306 0.76  LDD1436 
Adenosine kinase (ADK) LDTP04689 0.81  LDD1436 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 0.78  LDD1436 
AMP deaminase 2 (AMPD2) LDTP05289 1.02  LDD1437 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 1.62  LDD1437 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 0.64; 0.88  LDD1436 
ATPase WRNIP1 (WRNIP1) LDTP10801 0.88  LDD1436 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 0.85  LDD1436 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 0.72  LDD1436 
Cathepsin B (CTSB) LDTP02223 0.74; 0.90  LDD1436 
Cathepsin D (CTSD) LDTP02198 1.02  LDD1436 
Cathepsin Z (CTSZ) LDTP13147 0.85; 0.87  LDD1436 
Cell cycle checkpoint control protein RAD9A (RAD9A) LDTP10929 0.90  LDD1437 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 0.82  LDD1436 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 7.50  LDD1437 
Deoxycytidine kinase (DCK) LDTP03400 0.82  LDD1436 
DNA repair protein RAD50 (RAD50) LDTP09912 1.09  LDD1437 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 0.98  LDD1436 
Dynamin-1-like protein (DNM1L) LDTP00273 1.94  LDD1437 
Dynamin-2 (DNM2) LDTP04374 0.81  LDD1436 
Elongation factor 2 (EEF2) LDTP02672 0.92; 0.82  LDD1436 
ERO1-like protein alpha (ERO1A) LDTP10386 3.82; 0.94  LDD1436 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 0.89  LDD1436 
Galactokinase (GALK1) LDTP04424 1.27  LDD1437 
Glutaredoxin-1 (GLRX) LDTP03786 1.21  LDD1437 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 0.87  LDD1436 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 0.93  LDD1436 
Glutathione S-transferase P (GSTP1) LDTP02333 1.56  LDD1436 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 0.78  LDD1436 
Glycerol-3-phosphate phosphatase (PGP) LDTP00089 0.98  LDD1436 
Glycogen phosphorylase, brain form (PYGB) LDTP02552 0.62  LDD1436 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 5.70; 0.92  LDD1436 
Integrin-linked protein kinase (ILK) LDTP05859 0.93  LDD1437 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 0.84  LDD1436 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 0.84  LDD1437 
Mannose-1-phosphate guanyltransferase alpha (GMPPA) LDTP10418 0.92  LDD1436 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 0.90  LDD1436 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 1.10  LDD1436 
Mitogen-activated protein kinase 9 (MAPK9) LDTP04076 1.35  LDD1437 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 6.51  LDD1436 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 0.65; 1.24  LDD1436 
NEDD8-activating enzyme E1 catalytic subunit (UBA3) LDTP09338 1.16  LDD1437 
Omega-amidase NIT2 (NIT2) LDTP12428 0.89  LDD1436 
Parkinson disease protein 7 (PARK7) LDTP10878 0.82  LDD1436 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 0.74  LDD1436 
Peroxiredoxin-4 (PRDX4) LDTP05773 0.85  LDD1436 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 0.60  LDD1436 
Persulfide dioxygenase ETHE1, mitochondrial (ETHE1) LDTP01633 0.80  LDD1436 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 0.74  LDD1436 
Probable ATP-dependent RNA helicase DDX59 (DDX59) LDTP07098 1.41  LDD1437 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 0.87  LDD1437 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 0.78  LDD1436 
Protein disulfide-isomerase (P4HB) LDTP02188 0.86  LDD1436 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 0.74  LDD1436 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 0.86; 0.74  LDD1436 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 0.79  LDD1436 
Protein PML (PML) LDTP03496 0.88  LDD1436 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 0.87  LDD1436 
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (PCMT1) LDTP03152 0.83  LDD1436 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 0.72  LDD1436 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 0.81  LDD1436 
Pyruvate kinase PKM (PKM) LDTP02733 0.78  LDD1436 
Ribonuclease H2 subunit C (RNASEH2C) LDTP09446 0.92  LDD1436 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 0.66  LDD1436 
Serine/threonine-protein kinase Nek9 (NEK9) LDTP09412 1.14  LDD1437 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 1.50  LDD1437 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 0.89  LDD1436 
Sterol carrier protein 2 (SCP2) LDTP03163 0.86  LDD1436 
SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1 (SMARCAD1) LDTP11931 1.12  LDD1437 
Thioredoxin (TXN) LDTP02502 0.96  LDD1436 
Thioredoxin domain-containing protein 5 (TXNDC5) LDTP09067 1.44; 1.37  LDD1437 
Thymidine kinase, cytosolic (TK1) LDTP02022 0.81  LDD1436 
Transmembrane protease serine 12 (TMPRSS12) LDTP15306 0.88  LDD1437 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 0.84; 0.89; 0.91  LDD1436 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 0.85; 0.82; 0.88  LDD1436 
Ubiquitin carboxyl-terminal hydrolase 16 (USP16) LDTP14159 0.93  LDD1437 
Ubiquitin-conjugating enzyme E2 L3 (UBE2L3) LDTP05070 0.76  LDD1436 
Ubiquitin-conjugating enzyme E2 S (UBE2S) LDTP06621 0.94  LDD1436 
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (OGT) LDTP00601 1.60  LDD1437 
[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial (PDP1) LDTP12960 0.92  LDD1436 
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⏷ Show the Full List of 90 Enzyme
14 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Apoptotic chromatin condensation inducer in the nucleus (ACIN1) LDTP13490 0.69  LDD1437 
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 0.68  LDD1437 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 0.83  LDD1436 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 0.81  LDD1436 
Exportin-1 (XPO1) LDTP00501 0.82  LDD1436 
Exportin-2 (CSE1L) LDTP04662 0.98  LDD1436 
Importin-7 (IPO7) LDTP01574 0.72  LDD1437 
Protein SEC13 homolog (SEC13) LDTP04707 0.81  LDD1436 
Signal recognition particle 9 kDa protein (SRP9) LDTP04259 0.82  LDD1437 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 0.97  LDD1436 
Sorting nexin-6 (SNX6) LDTP13661 1.01  LDD1437 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 2.60  LDD1437 
THO complex subunit 6 homolog (THOC6) LDTP08315 0.74  LDD1436 
Unconventional myosin-Ic (MYO1C) LDTP00196 0.81  LDD1436 
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⏷ Show the Full List of 14 Transporter and channel
7 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CDKN2A-interacting protein (CDKN2AIP) LDTP12792 20.00  LDD1436 
Chromatin accessibility complex protein 1 (CHRAC1) LDTP12507 0.91  LDD1436 
eIF5-mimic protein 2 (BZW1) LDTP07940 0.69  LDD1436 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 0.78  LDD1436 
Nucleus accumbens-associated protein 1 (NACC1) LDTP10756 0.82  LDD1436 
Recombining binding protein suppressor of hairless (RBPJ) LDTP05485 0.66  LDD1436 
SWI/SNF complex subunit SMARCC2 (SMARCC2) LDTP09311 0.86  LDD1436 
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⏷ Show the Full List of 7 Transcription factor
79 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin filament-associated protein 1 (AFAP1) LDTP08885 0.72  LDD1436 
Actin-related protein 3 (ACTR3) LDTP04902 0.85  LDD1436 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 0.94; 0.70  LDD1436 
Anillin (ANLN) LDTP12443 1.72  LDD1436 
Ankyrin repeat and KH domain-containing protein 1 (ANKHD1) LDTP08573 1.65  LDD1437 
Ataxin-7-like protein 3B (ATXN7L3B) LDTP15730 0.74  LDD1436 
BRISC and BRCA1-A complex member 1 (BABAM1) LDTP12737 1.13  LDD1437 
Calponin-2 (CNN2) LDTP10864 0.84; 0.86  LDD1436 
cAMP-dependent protein kinase type I-alpha regulatory subunit (PRKAR1A) LDTP02511 0.87  LDD1436 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 0.90  LDD1436 
Cofilin-1 (CFL1) LDTP03244 0.70  LDD1436 
Condensin complex subunit 1 (NCAPD2) LDTP06281 1.43  LDD1437 
Condensin complex subunit 2 (NCAPH) LDTP06268 1.36  LDD1437 
Coronin-1C (CORO1C) LDTP13580 0.82; 0.75  LDD1436 
Cyclin-H (CCNH) LDTP04487 0.87  LDD1436 
Cysteine and glycine-rich protein 2 (CSRP2) LDTP06542 0.86  LDD1436 
Cytoplasmic dynein 1 heavy chain 1 (DYNC1H1) LDTP06083 0.78  LDD1437 
Cytosolic iron-sulfur assembly component 2B (CIAO2B) LDTP13979 0.86  LDD1436 
Disks large-associated protein 5 (DLGAP5) LDTP06378 1.03  LDD1436 
Dynactin subunit 1 (DCTN1) LDTP06082 0.91  LDD1436 
Dynamin-binding protein (DNMBP) LDTP07755 1.14  LDD1437 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 0.99  LDD1437 
Enhancer of mRNA-decapping protein 3 (EDC3) LDTP10299 1.05  LDD1437 
Eukaryotic translation initiation factor 3 subunit J (EIF3J) LDTP01320 0.87  LDD1436 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 0.80  LDD1436 
Formin-binding protein 1-like (FNBP1L) LDTP07088 1.07  LDD1436 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 0.84  LDD1436 
Heat shock 70 kDa protein 4 (HSPA4) LDTP03695 0.95  LDD1437 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 0.80  LDD1436 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 0.90  LDD1436 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 1.00  LDD1436 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 1.08  LDD1436 
Integrator complex subunit 13 (INTS13) LDTP12685 2.86  LDD1437 
Interferon-induced protein with tetratricopeptide repeats 3 (IFIT3) LDTP00463 0.60  LDD1436 
KH domain-containing RNA-binding protein QKI (QKI) LDTP10700 0.73  LDD1436 
Kinetochore protein NDC80 homolog (NDC80) LDTP00431 1.39  LDD1437 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 0.59  LDD1436 
LanC-like protein 2 (LANCL2) LDTP12571 1.06  LDD1437 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 0.81; 0.89  LDD1436 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 0.86  LDD1436 
Large ribosomal subunit protein uL3 (RPL3) LDTP03865 1.88  LDD1437 
Large ribosomal subunit protein uL4 (RPL4) LDTP03815 0.87  LDD1436 
LIM and calponin homology domains-containing protein 1 (LIMCH1) LDTP13705 0.94  LDD1436 
Mediator of RNA polymerase II transcription subunit 15 (MED15) LDTP10771 0.92  LDD1437 
Mediator of RNA polymerase II transcription subunit 17 (MED17) LDTP12669 1.73  LDD1437 
Mini-chromosome maintenance complex-binding protein (MCMBP) LDTP11197 1.66  LDD1437 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 0.89  LDD1436 
MOB-like protein phocein (MOB4) LDTP13964 0.86  LDD1436 
Nuclear migration protein nudC (NUDC) LDTP13817 0.80  LDD1436 
Nucleolar protein 58 (NOP58) LDTP13925 0.90  LDD1436 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 1.18  LDD1436 
Plectin (PLEC) LDTP06330 0.94  LDD1436 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 0.71  LDD1436 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 1.25  LDD1436 
Protein diaphanous homolog 1 (DIAPH1) LDTP01011 1.09  LDD1436 
Protein lin-7 homolog C (LIN7C) LDTP12638 0.70  LDD1436 
Protein misato homolog 1 (MSTO1) LDTP11239 0.96  LDD1437 
Protein S100-A11 (S100A11) LDTP03620 0.72  LDD1436 
Protein unc-45 homolog A (UNC45A) LDTP11890 1.03  LDD1437 
Ras GTPase-activating-like protein IQGAP1 (IQGAP1) LDTP04117 1.02  LDD1437 
Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 1.42  LDD1437 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 0.83  LDD1436 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 0.82  LDD1436 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 0.81  LDD1436 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 0.83; 0.80  LDD1436 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 0.97  LDD1436 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 0.90  LDD1437 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 0.85  LDD1436 
T-complex protein 1 subunit alpha (TCP1) LDTP02934 0.78  LDD1436 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 0.93  LDD1437 
T-complex protein 1 subunit eta (CCT7) LDTP10990 0.90  LDD1436 
T-complex protein 1 subunit theta (CCT8) LDTP04390 0.86  LDD1437 
TBC1 domain family member 23 (TBC1D23) LDTP12651 0.75  LDD1436 
Transcription initiation factor IIA subunit 2 (GTF2A2) LDTP04517 0.80  LDD1436 
Treacle protein (TCOF1) LDTP05867 1.02  LDD1436 
Tropomodulin-3 (TMOD3) LDTP18494 0.82  LDD1436 
Tubulin beta chain (TUBB) LDTP02205 0.94; 0.83  LDD1436 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 1.13  LDD1436 
WW domain-containing adapter protein with coiled-coil (WAC) LDTP11191 0.87  LDD1436 
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⏷ Show the Full List of 79 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 Fragment40
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  LDD1436  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Competitor Name Fragment40
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  LDD1437  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.