Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0594
Competitor Name
Fragment36
Synonyms
SCHEMBL18763045; VGXWNCVOUSWYED-UHFFFAOYSA-N; 3-[(2-Chloroacetyl)amino]-5-(trifluoromethyl)benzoic acid
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 281.61
Lipid-water partition coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C10H7ClF3NO3
IUPAC Name
3-[(2-chloroacetyl)amino]-5-(trifluoromethyl)benzoic acid
Canonical SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCl)C(=O)O
InChI
InChI=1S/C10H7ClF3NO3/c11-4-8(16)15-7-2-5(9(17)18)1-6(3-7)10(12,13)14/h1-3H,4H2,(H,15,16)(H,17,18)
InChIKey
VGXWNCVOUSWYED-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

59 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 1.58; 1.24  LDD1431 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 2.27  LDD1431 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 1.11  LDD1431 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 1.22  LDD1431 
6-phosphogluconolactonase (PGLS) LDTP14535 2.82  LDD1431 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 2.56  LDD1431 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 1.24; 1.50; 2.74  LDD1431 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 2.37  LDD1431 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 1.55  LDD1431 
ATPase WRNIP1 (WRNIP1) LDTP10801 1.65  LDD1431 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 1.88  LDD1431 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 3.12  LDD1431 
Cathepsin Z (CTSZ) LDTP13147 1.30  LDD1431 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 2.07  LDD1431 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 1.89  LDD1431 
DNA repair protein RAD50 (RAD50) LDTP09912 1.68  LDD1431 
DNA replication licensing factor MCM5 (MCM5) LDTP03681 20.00  LDD1431 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 1.76  LDD1431 
Double-stranded RNA-specific adenosine deaminase (ADAR) LDTP04690 3.08  LDD1431 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 2.54  LDD1431 
Dynamin-1-like protein (DNM1L) LDTP00273 0.93  LDD1431 
Dynamin-2 (DNM2) LDTP04374 2.02  LDD1431 
Elongation factor 2 (EEF2) LDTP02672 1.83  LDD1431 
Elongation factor Tu, mitochondrial (TUFM) LDTP04251 1.47  LDD1431 
Enoyl-CoA delta isomerase 2 (ECI2) LDTP01245 2.26  LDD1431 
ERO1-like protein alpha (ERO1A) LDTP10386 3.03  LDD1431 
Ethylmalonyl-CoA decarboxylase (ECHDC1) LDTP16095 1.33  LDD1431 
Glutaredoxin-1 (GLRX) LDTP03786 20.00  LDD1431 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 20.00  LDD1431 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 20.00  LDD1431 
Glutathione S-transferase P (GSTP1) LDTP02333 1.58  LDD1431 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 20.00  LDD1431 
Glycogen phosphorylase, brain form (PYGB) LDTP02552 1.48  LDD1431 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 20.00  LDD1431 
Integrin-linked protein kinase (ILK) LDTP05859 1.45  LDD1431 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 1.67  LDD1431 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 1.32  LDD1431 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 12.54  LDD1431 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 1.57; 20.00  LDD1431 
NEDD8-activating enzyme E1 catalytic subunit (UBA3) LDTP09338 1.06  LDD1431 
Omega-amidase NIT2 (NIT2) LDTP12428 1.23  LDD1431 
Parkinson disease protein 7 (PARK7) LDTP10878 1.81  LDD1431 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 1.11  LDD1431 
Peripheral plasma membrane protein CASK (CASK) LDTP00482 1.73  LDD1431 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 2.10  LDD1431 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 1.53  LDD1431 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 1.01  LDD1431 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 20.00  LDD1431 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 1.03  LDD1431 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 1.35  LDD1431 
Pyruvate kinase PKM (PKM) LDTP02733 1.35  LDD1431 
Ribonuclease P/MRP protein subunit POP5 (POP5) LDTP10002 1.96  LDD1431 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 0.92  LDD1431 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 4.00  LDD1431 
Thioredoxin (TXN) LDTP02502 20.00  LDD1431 
Thioredoxin domain-containing protein 5 (TXNDC5) LDTP09067 20.00  LDD1431 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 1.66; 1.79; 1.44  LDD1431 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 1.46; 1.46; 1.37  LDD1431 
Tudor-interacting repair regulator protein (NUDT16L1) LDTP11111 1.92  LDD1431 
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⏷ Show the Full List of 59 Enzyme
8 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 20.00  LDD1431 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 20.00  LDD1431 
Exportin-1 (XPO1) LDTP00501 1.28  LDD1431 
Importin-7 (IPO7) LDTP01574 1.04  LDD1431 
Nucleoporin NUP35 (NUP35) LDTP09204 2.84  LDD1431 
Protein SEC13 homolog (SEC13) LDTP04707 1.22  LDD1431 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 1.30  LDD1431 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 20.00  LDD1431 
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⏷ Show the Full List of 8 Transporter and channel
5 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CDKN2A-interacting protein (CDKN2AIP) LDTP12792 1.28  LDD1431 
eIF5-mimic protein 2 (BZW1) LDTP07940 1.33  LDD1431 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 1.49  LDD1431 
Nucleus accumbens-associated protein 1 (NACC1) LDTP10756 3.21  LDD1431 
Recombining binding protein suppressor of hairless (RBPJ) LDTP05485 2.35  LDD1431 
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49 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 2.12  LDD1431 
Actin-related protein 3 (ACTR3) LDTP04902 1.73  LDD1431 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 1.75; 2.04  LDD1431 
Calponin-2 (CNN2) LDTP10864 1.84  LDD1431 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 1.54  LDD1431 
Coronin-1C (CORO1C) LDTP13580 1.75  LDD1431 
Cytosolic Fe-S cluster assembly factor NUBP1 (NUBP1) LDTP04560 20.00  LDD1431 
Enhancer of mRNA-decapping protein 3 (EDC3) LDTP10299 20.00  LDD1431 
Eukaryotic translation initiation factor 3 subunit J (EIF3J) LDTP01320 1.32  LDD1431 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 1.84  LDD1431 
Formin-binding protein 1-like (FNBP1L) LDTP07088 1.14  LDD1431 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 20.00  LDD1431 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 2.00  LDD1431 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 1.65  LDD1431 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 1.21; 1.59  LDD1431 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 1.32; 1.99  LDD1431 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 1.71  LDD1431 
Large ribosomal subunit protein uL16 (RPL10) LDTP03395 1.38  LDD1431 
LIM and calponin homology domains-containing protein 1 (LIMCH1) LDTP13705 1.42  LDD1431 
Mediator of RNA polymerase II transcription subunit 15 (MED15) LDTP10771 2.27  LDD1431 
Mediator of RNA polymerase II transcription subunit 17 (MED17) LDTP12669 1.11  LDD1431 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 1.32  LDD1431 
Nuclear migration protein nudC (NUDC) LDTP13817 1.57  LDD1431 
Nucleolar protein 58 (NOP58) LDTP13925 3.29  LDD1431 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 1.45  LDD1431 
Plectin (PLEC) LDTP06330 1.55  LDD1431 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 1.22; 2.05  LDD1431 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 1.16  LDD1431 
Protein S100-A11 (S100A11) LDTP03620 1.09  LDD1431 
Reticulon-4 (RTN4) LDTP12412 2.64  LDD1431 
Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 1.56  LDD1431 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 1.78  LDD1431 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 1.34  LDD1431 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 1.62  LDD1431 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 2.30; 1.62  LDD1431 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 1.91  LDD1431 
SNW domain-containing protein 1 (SNW1) LDTP05930 1.42  LDD1431 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 0.99  LDD1431 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 2.36  LDD1431 
T-complex protein 1 subunit eta (CCT7) LDTP10990 1.86  LDD1431 
T-complex protein 1 subunit theta (CCT8) LDTP04390 1.97  LDD1431 
TBC1 domain family member 23 (TBC1D23) LDTP12651 1.94  LDD1431 
Trafficking protein particle complex subunit 4 (TRAPPC4) LDTP13837 2.07  LDD1431 
Transcription initiation factor IIA subunit 2 (GTF2A2) LDTP04517 2.14  LDD1431 
Treacle protein (TCOF1) LDTP05867 1.72  LDD1431 
Tropomodulin-3 (TMOD3) LDTP18494 2.19  LDD1431 
Tubulin beta chain (TUBB) LDTP02205 1.27; 1.78  LDD1431 
U4/U6.U5 tri-snRNP-associated protein 1 (SART1) LDTP00727 2.14  LDD1431 
WW domain-containing adapter protein with coiled-coil (WAC) LDTP11191 1.27  LDD1431 
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⏷ Show the Full List of 49 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 Fragment36
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  LDD1431  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.