Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0607
Competitor Name
Fragment49
Synonyms
2-Chloro-N-(2-methyl-5-(trifluoromethyl)phenyl)acetamide; 1506289-07-1; 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]acetamide; SCHEMBL18763038; QGPKBSWLHPPIKQ-UHFFFAOYSA-N; AKOS015825525; A1-41045; Z1295687493
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 251.63
Lipid-water partition coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H9ClF3NO
IUPAC Name
2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]acetamide
Canonical SMILES
CC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CCl
InChI
InChI=1S/C10H9ClF3NO/c1-6-2-3-7(10(12,13)14)4-8(6)15-9(16)5-11/h2-4H,5H2,1H3,(H,15,16)
InChIKey
QGPKBSWLHPPIKQ-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 12.04  LDD1448 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 6.88  LDD1448 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 5.78  LDD1448 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 5.58  LDD1448 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 7.03  LDD1448 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 4.88; 4.73; 2.59 ...  LDD1448 
Adenosine 5'-monophosphoramidase HINT1 (HINT1) LDTP04306 0.81  LDD1448 
Adenosine kinase (ADK) LDTP04689 1.61  LDD1448 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 2.38  LDD1448 
Alpha-aminoadipic semialdehyde dehydrogenase (ALDH7A1) LDTP04253 0.27  LDD1448 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 13.41  LDD1448 
ATPase WRNIP1 (WRNIP1) LDTP10801 3.83  LDD1448 
Bleomycin hydrolase (BLMH) LDTP05992 2.22  LDD1448 
Cathepsin B (CTSB) LDTP02223 2.41  LDD1448 
Cathepsin Z (CTSZ) LDTP13147 3.69  LDD1448 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 3.55  LDD1448 
Deoxycytidine kinase (DCK) LDTP03400 5.73  LDD1448 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 1.60  LDD1448 
Dual specificity mitogen-activated protein kinase kinase 3 (MAP2K3) LDTP04103 12.06  LDD1448 
Dynamin-2 (DNM2) LDTP04374 1.16  LDD1448 
Elongation factor 2 (EEF2) LDTP02672 9.55; 2.19  LDD1448 
Enoyl-CoA delta isomerase 2 (ECI2) LDTP01245 2.00  LDD1448 
ERO1-like protein alpha (ERO1A) LDTP10386 4.67; 3.06  LDD1448 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 3.36  LDD1448 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 20.00  LDD1448 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 2.03  LDD1448 
GMP reductase 2 (GMPR2) LDTP13080 3.02  LDD1448 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 20.00; 4.33  LDD1448 
Integrin-linked protein kinase (ILK) LDTP05859 8.34  LDD1448 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 2.40  LDD1448 
Ketosamine-3-kinase (FN3KRP) LDTP16025 15.25  LDD1448 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 20.00  LDD1448 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 20.00  LDD1448 
Multifunctional procollagen lysine hydroxylase and glycosyltransferase LH3 (PLOD3) LDTP01005 4.38  LDD1448 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 4.67  LDD1448 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 1.74  LDD1448 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 0.98  LDD1448 
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1 (PLOD1) LDTP05373 4.08  LDD1448 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 1.61  LDD1448 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 1.97  LDD1448 
Protein disulfide-isomerase (P4HB) LDTP02188 20.00  LDD1448 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 7.33  LDD1448 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 12.84  LDD1448 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 1.12  LDD1448 
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (PCMT1) LDTP03152 1.24  LDD1448 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 4.99  LDD1448 
Ribonuclease H2 subunit C (RNASEH2C) LDTP09446 4.89  LDD1448 
Serine/threonine-protein kinase Nek9 (NEK9) LDTP09412 2.79  LDD1448 
Serine/threonine-protein kinase VRK1 (VRK1) LDTP11030 3.71  LDD1448 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform (PPP2R5D) LDTP06199 4.00  LDD1448 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 5.80  LDD1448 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 18.46  LDD1448 
Tensin-3 (TNS3) LDTP07317 2.76  LDD1448 
Thioredoxin (TXN) LDTP02502 3.06  LDD1448 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 3.25; 4.95  LDD1448 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 3.22; 3.51; 2.25  LDD1448 
Ubiquitin-conjugating enzyme E2 L3 (UBE2L3) LDTP05070 1.87  LDD1448 
Uridine phosphorylase 1 (UPP1) LDTP06643 1.25  LDD1448 
[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial (PDP1) LDTP12960 6.42  LDD1448 
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⏷ Show the Full List of 59 Enzyme
6 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 2.02  LDD1448 
Exportin-1 (XPO1) LDTP00501 1.88  LDD1448 
Importin-7 (IPO7) LDTP01574 1.68  LDD1448 
Sorting nexin-6 (SNX6) LDTP13661 1.37  LDD1448 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 4.63  LDD1448 
Unconventional myosin-Ic (MYO1C) LDTP00196 14.07  LDD1448 
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⏷ Show the Full List of 6 Transporter and channel
3 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
eIF5-mimic protein 2 (BZW1) LDTP07940 1.31  LDD1448 
Recombining binding protein suppressor of hairless (RBPJ) LDTP05485 2.12  LDD1448 
Zinc finger protein 217 (ZNF217) LDTP01191 0.99  LDD1448 
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59 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 5.96  LDD1448 
Actin-related protein 3 (ACTR3) LDTP04902 3.24  LDD1448 
AH receptor-interacting protein (AIP) LDTP00202 4.80  LDD1448 
Alpha-actinin-1 (ACTN1) LDTP02631 4.95  LDD1448 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 5.26  LDD1448 
Calponin-2 (CNN2) LDTP10864 3.08; 2.85  LDD1448 
Cofilin-1 (CFL1) LDTP03244 0.36  LDD1448 
Coronin-1C (CORO1C) LDTP13580 3.13; 1.42  LDD1448 
Cyclin-H (CCNH) LDTP04487 1.85  LDD1448 
Cysteine and glycine-rich protein 2 (CSRP2) LDTP06542 2.75  LDD1448 
Cytoplasmic dynein 1 heavy chain 1 (DYNC1H1) LDTP06083 1.20  LDD1448 
Dynactin subunit 1 (DCTN1) LDTP06082 12.85  LDD1448 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 1.02  LDD1448 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 1.37  LDD1448 
GrpE protein homolog 1, mitochondrial (GRPEL1) LDTP12144 1.29  LDD1448 
Heat shock 70 kDa protein 4 (HSPA4) LDTP03695 6.39  LDD1448 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 3.17; 0.70  LDD1448 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 3.25  LDD1448 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 5.94  LDD1448 
Inverted formin-2 (INF2) LDTP06681 20.00  LDD1448 
Kinectin (KTN1) LDTP08238 3.57  LDD1448 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 7.78; 20.00  LDD1448 
LanC-like protein 2 (LANCL2) LDTP12571 2.62  LDD1448 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 8.81  LDD1448 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 3.55  LDD1448 
Leucine-rich repeat-containing protein 41 (LRRC41) LDTP06362 11.27  LDD1448 
Mediator of RNA polymerase II transcription subunit 15 (MED15) LDTP10771 5.38  LDD1448 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 20.00  LDD1448 
MOB-like protein phocein (MOB4) LDTP13964 1.48  LDD1448 
Multivesicular body subunit 12A (MVB12A) LDTP10284 4.65  LDD1448 
Nuclear migration protein nudC (NUDC) LDTP13817 1.29  LDD1448 
Plastin-3 (PLS3) LDTP02692 2.80  LDD1448 
Plectin (PLEC) LDTP06330 2.79; 2.67  LDD1448 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 3.58; 2.67  LDD1448 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 3.73  LDD1448 
Protein diaphanous homolog 1 (DIAPH1) LDTP01011 0.51  LDD1448 
Protein S100-A11 (S100A11) LDTP03620 3.42  LDD1448 
Protein strawberry notch homolog 1 (SBNO1) LDTP14337 1.60  LDD1448 
Ras GTPase-activating-like protein IQGAP1 (IQGAP1) LDTP04117 20.00  LDD1448 
Reticulon-4 (RTN4) LDTP12412 11.17  LDD1448 
Ribosomal protein eL42-like (RPL36AL) LDTP15677 3.54  LDD1448 
Serpin H1 (SERPINH1) LDTP04363 3.44  LDD1448 
Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 5.03  LDD1448 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 5.06  LDD1448 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 4.30  LDD1448 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 10.58  LDD1448 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 11.75  LDD1448 
T-complex protein 1 subunit alpha (TCP1) LDTP02934 3.70  LDD1448 
T-complex protein 1 subunit eta (CCT7) LDTP10990 10.91  LDD1448 
Targeting protein for Xklp2 (TPX2) LDTP13583 5.09  LDD1448 
TBC1 domain family member 23 (TBC1D23) LDTP12651 1.59  LDD1448 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 1.70  LDD1448 
Trafficking protein particle complex subunit 4 (TRAPPC4) LDTP13837 3.13  LDD1448 
Transcription elongation regulator 1 (TCERG1) LDTP00430 1.61  LDD1448 
Transcription initiation factor IIA subunit 2 (GTF2A2) LDTP04517 1.29  LDD1448 
Tropomodulin-3 (TMOD3) LDTP18494 4.37  LDD1448 
Tubulin beta chain (TUBB) LDTP02205 3.53  LDD1448 
WW domain-containing adapter protein with coiled-coil (WAC) LDTP11191 5.37  LDD1448 
ZW10 interactor (ZWINT) LDTP01532 4.60  LDD1448 
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⏷ Show the Full List of 59 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 Fragment49
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  LDD1448  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.